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]+ 385.167736 192.7
[M+Na]+ 407.149678 194.9
[M-H]- 383.153184 201.9
[M+NH4]+ 402.194283 204.1
[M+K]+ 423.123618 190.0
[M+H-H2O]+ 367.157720 183.3
[M+HCOO]- 429.158661 208.1
[M+CH3COO]- 443.174311 225.6
[M+Na-2H]- 405.135126 191.9
[M]+ 384.15991142 190.9
[M]- 384.16100858 190.9
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

No patent data available for this compound.