CID 1415925

477332-82-4

Structural Information

Molecular Formula
C24H20ClN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C(=CC=C4)Cl)C
InChI
InChI=1S/C24H20ClN3O2S/c1-15-10-12-17(13-11-15)28-23(30)18-6-3-4-8-21(18)27-24(28)31-14-22(29)26-20-9-5-7-19(25)16(20)2/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
KCBJVPQXCMDZQI-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.09647 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.10375 205.8
[M+Na]+ 472.08569 215.9
[M-H]- 448.08919 214.0
[M+NH4]+ 467.13029 214.3
[M+K]+ 488.05963 206.9
[M+H-H2O]+ 432.09373 195.4
[M+HCOO]- 494.09467 216.1
[M+CH3COO]- 508.11032 214.5
[M+Na-2H]- 470.07114 206.9
[M]+ 449.09592 212.2
[M]- 449.09702 212.2
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.