CID 3059652

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

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CN(C1=C(C=C(C=C1)C#N)C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3
InChI
InChI=1S/C23H25N3O2/c1-26(22(27)16-25-19-10-6-3-7-11-19)21-13-12-17(15-24)14-20(21)23(28)18-8-4-2-5-9-18/h2,4-5,8-9,12-14,19,25H,3,6-7,10-11,16H2,1H3
InChIKey
VXPDBLGQKKRRAV-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-cyanophenyl)-2-(cyclohexylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 197.5
[M+Na]+ 398.18389 201.6
[M-H]- 374.18739 204.3
[M+NH4]+ 393.22849 206.6
[M+K]+ 414.15783 195.2
[M+H-H2O]+ 358.19193 181.0
[M+HCOO]- 420.19287 213.2
[M+CH3COO]- 434.20852 233.8
[M+Na-2H]- 396.16934 195.8
[M]+ 375.19412 188.2
[M]- 375.19522 188.2
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.