CID 204731

Cyclohexanecarboxamide, 1-phenyl-n-(4-piperidino-2-butynyl)-, monohydrochloride, hydrate

Structural Information

Molecular Formula
C22H30N2O
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)NCC#CCN3CCCCC3
InChI
InChI=1S/C22H30N2O/c25-21(23-16-8-11-19-24-17-9-3-10-18-24)22(14-6-2-7-15-22)20-12-4-1-5-13-20/h1,4-5,12-13H,2-3,6-7,9-10,14-19H2,(H,23,25)
InChIKey
XMHPORGVHYIZLP-UHFFFAOYSA-N
Compound name
1-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 186.7
[M+Na]+ 361.225018 189.8
[M-H]- 337.228524 189.3
[M+NH4]+ 356.269623 197.3
[M+K]+ 377.198958 180.4
[M+H-H2O]+ 321.233060 170.7
[M+HCOO]- 383.234001 195.2
[M+CH3COO]- 397.249651 191.8
[M+Na-2H]- 359.210466 186.1
[M]+ 338.23525142 171.9
[M]- 338.23634858 171.9
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.