CID 1890314

N-(2-chloro-4,6-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C25H22ClN3O3S
SMILES
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C25H22ClN3O3S/c1-15-12-16(2)23(20(26)13-15)28-22(30)14-33-25-27-21-7-5-4-6-19(21)24(31)29(25)17-8-10-18(32-3)11-9-17/h4-13H,14H2,1-3H3,(H,28,30)
InChIKey
WZZBJVUDBRWZCD-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.10703 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.11431 213.5
[M+Na]+ 502.09625 223.5
[M-H]- 478.09975 221.9
[M+NH4]+ 497.14085 220.8
[M+K]+ 518.07019 215.3
[M+H-H2O]+ 462.10429 202.9
[M+HCOO]- 524.10523 223.6
[M+CH3COO]- 538.12088 221.8
[M+Na-2H]- 500.08170 213.6
[M]+ 479.10648 221.9
[M]- 479.10758 221.9
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.