CID 3080480

128433-25-0

Structural Information

Molecular Formula
C18H14ClN3O2S
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=CN3
InChI
InChI=1S/C18H14ClN3O2S/c19-13-6-7-15(22-16(23)11-25-18-20-8-9-21-18)14(10-13)17(24)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKey
BWONJOCIENWFTI-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.04953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.056806 183.4
[M+Na]+ 394.038748 191.0
[M-H]- 370.042254 189.7
[M+NH4]+ 389.083353 194.7
[M+K]+ 410.012688 183.4
[M+H-H2O]+ 354.046790 175.0
[M+HCOO]- 416.047731 194.9
[M+CH3COO]- 430.063381 192.9
[M+Na-2H]- 392.024196 182.9
[M]+ 371.04898142 186.1
[M]- 371.05007858 186.1
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

patents stripe