CID 1887024

N-(5-chloro-2-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C23H17Cl2N3O2S
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17Cl2N3O2S/c1-14-6-7-16(25)12-20(14)26-21(29)13-31-23-27-19-5-3-2-4-18(19)22(30)28(23)17-10-8-15(24)9-11-17/h2-12H,13H2,1H3,(H,26,29)
InChIKey
UEBNDNHERJKFMM-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.04184 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.04912 208.9
[M+Na]+ 492.03106 227.8
[M+NH4]+ 487.07566 217.0
[M+K]+ 508.00500 214.8
[M-H]- 468.03456 215.9
[M+Na-2H]- 490.01651 218.8
[M]+ 469.04129 214.9
[M]- 469.04239 214.9
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.