CID 3080482

Acetamide, n-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-(1h-imidazol-2-ylthio)-, monohydrochloride

Structural Information

Molecular Formula
C18H13Cl2N3O2S
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=CN3)Cl
InChI
InChI=1S/C18H13Cl2N3O2S/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20/h1-9H,10H2,(H,21,22)(H,23,24)
InChIKey
UWOHVSIKJIKIBP-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.01056 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.01784 188.5
[M+Na]+ 427.99978 197.1
[M-H]- 404.00328 194.5
[M+NH4]+ 423.04438 199.3
[M+K]+ 443.97372 188.8
[M+H-H2O]+ 388.00782 180.8
[M+HCOO]- 450.00876 194.9
[M+CH3COO]- 464.02441 197.5
[M+Na-2H]- 425.98523 186.7
[M]+ 405.01001 192.9
[M]- 405.01111 192.9
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