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]+ 459.14855 207.4
[M+Na]+ 481.13049 222.2
[M+NH4]+ 476.17509 213.4
[M+K]+ 497.10443 212.2
[M-H]- 457.13399 213.9
[M+Na-2H]- 479.11594 216.6
[M]+ 458.14072 211.8
[M]- 458.14182 211.8
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.