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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10158 168.9
[M+Na]+ 343.08352 176.4
[M-H]- 319.08702 171.8
[M+NH4]+ 338.12812 180.2
[M+K]+ 359.05746 170.0
[M+H-H2O]+ 303.09156 160.8
[M+HCOO]- 365.09250 181.9
[M+CH3COO]- 379.10815 205.0
[M+Na-2H]- 341.06897 174.9
[M]+ 320.09375 166.0
[M]- 320.09485 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe