CID 1629235

477331-16-1

Structural Information

Molecular Formula
C23H17Cl2N3O2S
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17Cl2N3O2S/c1-14-18(25)6-4-8-19(14)26-21(29)13-31-23-27-20-7-3-2-5-17(20)22(30)28(23)16-11-9-15(24)10-12-16/h2-12H,13H2,1H3,(H,26,29)
InChIKey
DEKNJBHIVJWUOR-UHFFFAOYSA-N
Compound name
N-(3-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 205.0
[M+Na]+ 492.03106 215.7
[M-H]- 468.03456 212.7
[M+NH4]+ 487.07566 213.3
[M+K]+ 508.00500 206.6
[M+H-H2O]+ 452.03910 195.5
[M+HCOO]- 514.04004 210.8
[M+CH3COO]- 528.05569 213.5
[M+Na-2H]- 490.01651 206.1
[M]+ 469.04129 212.5
[M]- 469.04239 212.5
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.