CID 3053910

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

Structural Information

Molecular Formula
C23H27ClN2O2
SMILES
CN(CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C23H27ClN2O2/c1-25(19-11-7-4-8-12-19)16-22(27)26(2)21-14-13-18(24)15-20(21)23(28)17-9-5-3-6-10-17/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3
InChIKey
KUUGECPWHQEISH-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.17612 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18340 197.0
[M+Na]+ 421.16534 198.9
[M-H]- 397.16884 207.4
[M+NH4]+ 416.20994 208.3
[M+K]+ 437.13928 195.1
[M+H-H2O]+ 381.17338 187.2
[M+HCOO]- 443.17432 212.6
[M+CH3COO]- 457.18997 231.8
[M+Na-2H]- 419.15079 194.9
[M]+ 398.17557 196.8
[M]- 398.17667 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.