CID 395165

Nsc699465

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2N
InChI
InChI=1S/C17H16N4O2S/c18-21-16(23)13-8-4-5-9-14(13)20-17(21)24-11-15(22)19-10-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H,19,22)
InChIKey
ANCBOQLFQSNTLY-UHFFFAOYSA-N
Compound name
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-benzylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 175.9
[M+Na]+ 363.08862 184.0
[M-H]- 339.09212 180.5
[M+NH4]+ 358.13322 187.3
[M+K]+ 379.06256 177.4
[M+H-H2O]+ 323.09666 166.5
[M+HCOO]- 385.09760 192.5
[M+CH3COO]- 399.11325 185.7
[M+Na-2H]- 361.07407 180.6
[M]+ 340.09885 177.6
[M]- 340.09995 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.