PubChemLite - 1,8-naphthyridin-2(1h)-one, 1-[(dicyclobutylmethyl)amino]-3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy- (C24H25N5O4S)

Structural Information

Molecular Formula

SMILES

C1CC(C1)C(C2CCC2)NN3C4=C(C=CC=N4)C(=C(C3=O)C5=NS(=O)(=O)C6=CC=CC=C6N5)O

InChI

InChI=1S/C24H25N5O4S/c30-21-16-10-5-13-25-23(16)29(27-20(14-6-3-7-14)15-8-4-9-15)24(31)19(21)22-26-17-11-1-2-12-18(17)34(32,33)28-22/h1-2,5,10-15,20,27,30H,3-4,6-9H2,(H,26,28)

InChIKey

UBHGSPQNDMCWLA-UHFFFAOYSA-N

Compound name

1-[di(cyclobutyl)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]+	480.17000	205.6
[M+Na]+	502.15194	207.7
[M-H]-	478.15544	208.8
[M+NH4]+	497.19654	197.3
[M+K]+	518.12588	207.9
[M+H-H2O]+	462.15998	182.7
[M+HCOO]-	524.16092	208.0
[M+CH3COO]-	538.17657	208.4
[M+Na-2H]-	500.13739	205.7
[M]+	479.16217	218.9
[M]-	479.16327	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.17000

205.6

[M+Na]+

502.15194

207.7

[M-H]-

478.15544

208.8

[M+NH4]+

497.19654

197.3

[M+K]+

518.12588

207.9

[M+H-H2O]+

462.15998

182.7

[M+HCOO]-

524.16092

208.0

[M+CH3COO]-

538.17657

208.4

[M+Na-2H]-

500.13739

205.7

[M]+

479.16217

218.9

[M]-

479.16327

218.9

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-[(dicyclobutylmethyl)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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