CID 986135

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

Structural Information

Molecular Formula
C24H20ClN3O3S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl
InChI
InChI=1S/C24H20ClN3O3S/c1-15-7-10-17(11-8-15)28-23(30)18-5-3-4-6-20(18)27-24(28)32-14-22(29)26-16-9-12-21(31-2)19(25)13-16/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
TVFHDFCSZQMNIF-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.0914 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.09868 209.3
[M+Na]+ 488.08062 227.1
[M+NH4]+ 483.12522 216.7
[M+K]+ 504.05456 215.2
[M-H]- 464.08412 216.2
[M+Na-2H]- 486.06607 219.0
[M]+ 465.09085 214.8
[M]- 465.09195 214.8
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.