CID 1258095

2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21N3O3S/c1-16-7-3-5-9-20(16)25-22(28)15-31-24-26-21-10-6-4-8-19(21)23(29)27(24)17-11-13-18(30-2)14-12-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKey
OSZQXMKHAZKGCX-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13037 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13765 203.2
[M+Na]+ 454.11959 211.5
[M-H]- 430.12309 211.1
[M+NH4]+ 449.16419 211.0
[M+K]+ 470.09353 204.2
[M+H-H2O]+ 414.12763 191.8
[M+HCOO]- 476.12857 218.2
[M+CH3COO]- 490.14422 211.7
[M+Na-2H]- 452.10504 205.6
[M]+ 431.12982 208.0
[M]- 431.13092 208.0
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.