PubChemLite - 1,8-naphthyridin-2(1h)-one, 1-[(dicycloheptylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy- (C30H37N5O4S)

Structural Information

Molecular Formula

SMILES

C1CCCC(CC1)C(C2CCCCCC2)NN3C4=C(C=CC=N4)C(=C(C3=O)C5=NS(=O)(=O)C6=CC=CC=C6N5)O

InChI

InChI=1S/C30H37N5O4S/c36-27-22-16-11-19-31-29(22)35(30(37)25(27)28-32-23-17-9-10-18-24(23)40(38,39)34-28)33-26(20-12-5-1-2-6-13-20)21-14-7-3-4-8-15-21/h9-11,16-21,26,33,36H,1-8,12-15H2,(H,32,34)

InChIKey

DVHBDXSXNCIRBS-UHFFFAOYSA-N

Compound name

1-[di(cycloheptyl)methylamino]-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]+	564.26393	240.1
[M+Na]+	586.24587	244.1
[M-H]-	562.24937	246.5
[M+NH4]+	581.29047	241.0
[M+K]+	602.21981	242.3
[M+H-H2O]+	546.25391	228.2
[M+HCOO]-	608.25485	240.6
[M+CH3COO]-	622.27050	241.3
[M+Na-2H]-	584.23132	237.5
[M]+	563.25610	230.0
[M]-	563.25720	230.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.26393

240.1

[M+Na]+

586.24587

244.1

[M-H]-

562.24937

246.5

[M+NH4]+

581.29047

241.0

[M+K]+

602.21981

242.3

[M+H-H2O]+

546.25391

228.2

[M+HCOO]-

608.25485

240.6

[M+CH3COO]-

622.27050

241.3

[M+Na-2H]-

584.23132

237.5

[M]+

563.25610

230.0

[M]-

563.25720

230.0

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-[(dicycloheptylmethyl)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

Patent stripe