CID 3080500

Propanamide, n-(4-chloro-2-(2-chlorobenzoyl)phenyl)-3-(1h-imidazol-2-ylthio)-n-methyl-

Structural Information

Molecular Formula
C20H17Cl2N3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CCSC3=NC=CN3
InChI
InChI=1S/C20H17Cl2N3O2S/c1-25(18(26)8-11-28-20-23-9-10-24-20)17-7-6-13(21)12-15(17)19(27)14-4-2-3-5-16(14)22/h2-7,9-10,12H,8,11H2,1H3,(H,23,24)
InChIKey
KXATUSDLHPYZGL-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.04184 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04912 197.0
[M+Na]+ 456.03106 204.8
[M-H]- 432.03456 204.1
[M+NH4]+ 451.07566 207.2
[M+K]+ 472.00500 197.4
[M+H-H2O]+ 416.03910 188.7
[M+HCOO]- 478.04004 203.2
[M+CH3COO]- 492.05569 224.6
[M+Na-2H]- 454.01651 193.7
[M]+ 433.04129 203.4
[M]- 433.04239 203.4
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.