CID 3053903

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-(cyclohexylamino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C22H25ClN2O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3
InChI
InChI=1S/C22H25ClN2O2/c1-25(21(26)15-24-18-10-6-3-7-11-18)20-13-12-17(23)14-19(20)22(27)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18,24H,3,6-7,10-11,15H2,1H3
InChIKey
NKNPPXWTANBELA-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(cyclohexylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16046 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16774 192.9
[M+Na]+ 407.14968 205.0
[M+NH4]+ 402.19428 200.7
[M+K]+ 423.12362 196.8
[M-H]- 383.15318 199.9
[M+Na-2H]- 405.13513 201.4
[M]+ 384.15991 196.8
[M]- 384.16101 196.8
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.