CID 1272983

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

Structural Information

Molecular Formula
C25H23N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C
InChI
InChI=1S/C25H23N3O3S/c1-3-31-20-14-12-19(13-15-20)28-24(30)21-6-4-5-7-22(21)27-25(28)32-16-23(29)26-18-10-8-17(2)9-11-18/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKey
YCELKXMYOIRAEB-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14603 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15331 206.0
[M+Na]+ 468.13525 222.4
[M+NH4]+ 463.17985 212.9
[M+K]+ 484.10919 211.1
[M-H]- 444.13875 212.7
[M+Na-2H]- 466.12070 215.7
[M]+ 445.14548 210.9
[M]- 445.14658 210.9
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.