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 192.7
[M+Na]+ 407.14968 194.9
[M-H]- 383.15318 201.9
[M+NH4]+ 402.19428 204.1
[M+K]+ 423.12362 190.0
[M+H-H2O]+ 367.15772 183.3
[M+HCOO]- 429.15866 208.1
[M+CH3COO]- 443.17431 225.6
[M+Na-2H]- 405.13513 191.9
[M]+ 384.15991 190.9
[M]- 384.16101 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.