CID 1272965

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

Structural Information

Molecular Formula
C25H23N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)C
InChI
InChI=1S/C25H23N3O2S/c1-16-8-12-20(13-9-16)28-24(30)21-6-4-5-7-22(21)27-25(28)31-15-23(29)26-19-11-10-17(2)18(3)14-19/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey
SFLBPANIEHQUDB-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1511 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15838 203.7
[M+Na]+ 452.14032 221.0
[M+NH4]+ 447.18492 211.2
[M+K]+ 468.11426 209.3
[M-H]- 428.14382 210.9
[M+Na-2H]- 450.12577 213.5
[M]+ 429.15055 208.9
[M]- 429.15165 208.9
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.