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]+ 339.24308 186.7
[M+Na]+ 361.22502 189.8
[M-H]- 337.22852 189.3
[M+NH4]+ 356.26962 197.3
[M+K]+ 377.19896 180.4
[M+H-H2O]+ 321.23306 170.7
[M+HCOO]- 383.23400 195.2
[M+CH3COO]- 397.24965 191.8
[M+Na-2H]- 359.21047 186.1
[M]+ 338.23525 171.9
[M]- 338.23635 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.