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 209.2
[M+Na]+ 481.13049 216.0
[M-H]- 457.13399 216.9
[M+NH4]+ 476.17509 215.4
[M+K]+ 497.10443 208.7
[M+H-H2O]+ 441.13853 197.8
[M+HCOO]- 503.13947 224.0
[M+CH3COO]- 517.15512 216.7
[M+Na-2H]- 479.11594 211.3
[M]+ 458.14072 212.5
[M]- 458.14182 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.