CID 1330374

379252-28-5

Structural Information

Molecular Formula
C23H18ClN3O2S
SMILES
CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H18ClN3O2S/c1-15-5-4-6-17(13-15)25-21(28)14-30-23-26-20-8-3-2-7-19(20)22(29)27(23)18-11-9-16(24)10-12-18/h2-13H,14H2,1H3,(H,25,28)
InChIKey
JCURBAYMCWUULG-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0808 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.08808 200.8
[M+Na]+ 458.07002 210.5
[M-H]- 434.07352 208.8
[M+NH4]+ 453.11462 209.6
[M+K]+ 474.04396 201.7
[M+H-H2O]+ 418.07806 190.5
[M+HCOO]- 480.07900 211.5
[M+CH3COO]- 494.09465 209.7
[M+Na-2H]- 456.05547 203.2
[M]+ 435.08025 206.4
[M]- 435.08135 206.4
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.