CID 1273447

477332-83-5

Structural Information

Molecular Formula
C25H22N4O3S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C25H22N4O3S/c1-16-7-13-20(14-8-16)29-24(32)21-5-3-4-6-22(21)28-25(29)33-15-23(31)27-19-11-9-18(10-12-19)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKey
OMPZIZHKOCPHOS-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.14127 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.148546 209.2
[M+Na]+ 481.130488 216.0
[M-H]- 457.133994 216.9
[M+NH4]+ 476.175093 215.4
[M+K]+ 497.104428 208.7
[M+H-H2O]+ 441.138530 197.8
[M+HCOO]- 503.139471 224.0
[M+CH3COO]- 517.155121 216.7
[M+Na-2H]- 479.115936 211.3
[M]+ 458.14072142 212.5
[M]- 458.14181858 212.5
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.