PubChemLite - 1,8-naphthyridin-2(1h)-one, 1-[(dicyclohexylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy- (C28H33N5O4S)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)C(C2CCCCC2)NN3C4=C(C=CC=N4)C(=C(C3=O)C5=NS(=O)(=O)C6=CC=CC=C6N5)O

InChI

InChI=1S/C28H33N5O4S/c34-25-20-14-9-17-29-27(20)33(31-24(18-10-3-1-4-11-18)19-12-5-2-6-13-19)28(35)23(25)26-30-21-15-7-8-16-22(21)38(36,37)32-26/h7-9,14-19,24,31,34H,1-6,10-13H2,(H,30,32)

InChIKey

HENXNXLHPQFAGB-UHFFFAOYSA-N

Compound name

1-(dicyclohexylmethylamino)-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	536.23262	220.7
[M+Na]+	558.21456	223.3
[M-H]-	534.21806	224.3
[M+NH4]+	553.25916	221.5
[M+K]+	574.18850	215.3
[M+H-H2O]+	518.22260	207.3
[M+HCOO]-	580.22354	220.2
[M+CH3COO]-	594.23919	222.9
[M+Na-2H]-	556.20001	221.6
[M]+	535.22479	212.9
[M]-	535.22589	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.23262

220.7

[M+Na]+

558.21456

223.3

[M-H]-

534.21806

224.3

[M+NH4]+

553.25916

221.5

[M+K]+

574.18850

215.3

[M+H-H2O]+

518.22260

207.3

[M+HCOO]-

580.22354

220.2

[M+CH3COO]-

594.23919

222.9

[M+Na-2H]-

556.20001

221.6

[M]+

535.22479

212.9

[M]-

535.22589

212.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,8-naphthyridin-2(1h)-one, 1-[(dicyclohexylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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