CID 3080476

Acetamide, n-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1h-imidazol-2-yl)thio)-, monohydrochloride

Structural Information

Molecular Formula
C18H15Cl2N3O2S
SMILES
C1CN=C(N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H15Cl2N3O2S/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/h1-6,9H,7-8,10H2,(H,21,22)(H,23,24)
InChIKey
ZNSWYIONPDQUTO-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.03348 189.8
[M+Na]+ 430.01542 197.5
[M-H]- 406.01892 195.5
[M+NH4]+ 425.06002 200.5
[M+K]+ 445.98936 189.4
[M+H-H2O]+ 390.02346 182.2
[M+HCOO]- 452.02440 194.8
[M+CH3COO]- 466.04005 198.3
[M+Na-2H]- 428.00087 187.1
[M]+ 407.02565 192.8
[M]- 407.02675 192.8
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.