CID 1890423

N-(3,5-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C25H23N3O3S
SMILES
CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C25H23N3O3S/c1-16-12-17(2)14-18(13-16)26-23(29)15-32-25-27-22-7-5-4-6-21(22)24(30)28(25)19-8-10-20(31-3)11-9-19/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey
VUMMDPRHDFJYFI-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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 206.9
[M+Na]+ 468.13525 223.6
[M+NH4]+ 463.17985 213.8
[M+K]+ 484.10919 212.5
[M-H]- 444.13875 213.6
[M+Na-2H]- 466.12070 216.3
[M]+ 445.14548 211.8
[M]- 445.14658 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.