CID 135408776

Nsc10929

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃S

SMILES

C1CCC2=C(C1)C(=O)NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H16N4O3S/c15-9-5-7-10(8-6-9)22(20,21)18-14-16-12-4-2-1-3-11(12)13(19)17-14/h5-8H,1-4,15H2,(H2,16,17,18,19)

InChIKey

IGRUZSGUUNZKEB-UHFFFAOYSA-N

Compound name

4-amino-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 320.0943 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

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]+	321.101576	168.9
[M+Na]+	343.083518	176.4
[M-H]-	319.087024	171.8
[M+NH4]+	338.128123	180.2
[M+K]+	359.057458	170.0
[M+H-H2O]+	303.091560	160.8
[M+HCOO]-	365.092501	181.9
[M+CH3COO]-	379.108151	205.0
[M+Na-2H]-	341.068966	174.9
[M]+	320.09375142	166.0
[M]-	320.09484858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe