CID 3053901

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-((1-ethynylcyclohexyl)amino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C24H25ClN2O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC3(CCCCC3)C#C
InChI
InChI=1S/C24H25ClN2O2/c1-3-24(14-8-5-9-15-24)26-17-22(28)27(2)21-13-12-19(25)16-20(21)23(29)18-10-6-4-7-11-18/h1,4,6-7,10-13,16,26H,5,8-9,14-15,17H2,2H3
InChIKey
NZMPWMBXLFNOED-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethynylcyclohexyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16046 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16774 205.0
[M+Na]+ 431.14968 211.6
[M-H]- 407.15318 211.2
[M+NH4]+ 426.19428 215.7
[M+K]+ 447.12362 202.0
[M+H-H2O]+ 391.15772 190.5
[M+HCOO]- 453.15866 214.6
[M+CH3COO]- 467.17431 232.3
[M+Na-2H]- 429.13513 202.7
[M]+ 408.15991 197.9
[M]- 408.16101 197.9
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.