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]+ 432.137646 203.2
[M+Na]+ 454.119588 211.5
[M-H]- 430.123094 211.1
[M+NH4]+ 449.164193 211.0
[M+K]+ 470.093528 204.2
[M+H-H2O]+ 414.127630 191.8
[M+HCOO]- 476.128571 218.2
[M+CH3COO]- 490.144221 211.7
[M+Na-2H]- 452.105036 205.6
[M]+ 431.12982142 208.0
[M]- 431.13091858 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.