CID 3058808

Acetamide, n-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-(cyclopentylamino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C21H22Cl2N2O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC3CCCC3
InChI
InChI=1S/C21H22Cl2N2O2/c1-25(20(26)13-24-15-6-2-3-7-15)19-11-10-14(22)12-17(19)21(27)16-8-4-5-9-18(16)23/h4-5,8-12,15,24H,2-3,6-7,13H2,1H3
InChIKey
SVZOUIRLWWITCF-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

404.10583 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11311 195.0
[M+Na]+ 427.09505 207.0
[M+NH4]+ 422.13965 202.7
[M+K]+ 443.06899 200.6
[M-H]- 403.09855 201.1
[M+Na-2H]- 425.08050 202.3
[M]+ 404.10528 198.9
[M]- 404.10638 198.9
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