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]+ 372.05681 183.4
[M+Na]+ 394.03875 191.0
[M-H]- 370.04225 189.7
[M+NH4]+ 389.08335 194.7
[M+K]+ 410.01269 183.4
[M+H-H2O]+ 354.04679 175.0
[M+HCOO]- 416.04773 194.9
[M+CH3COO]- 430.06338 192.9
[M+Na-2H]- 392.02420 182.9
[M]+ 371.04898 186.1
[M]- 371.05008 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