CID 48099

N-(4,4-diphenyl-6-piperidino-3-hexylidene)acetamide hydrochloride

Structural Information

Molecular Formula
C25H32N2O
SMILES
CCC(=NC(=O)C)C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H32N2O/c1-3-24(26-21(2)28)25(22-13-7-4-8-14-22,23-15-9-5-10-16-23)17-20-27-18-11-6-12-19-27/h4-5,7-10,13-16H,3,6,11-12,17-20H2,1-2H3
InChIKey
NKCARLVQJKRQRN-UHFFFAOYSA-N
Compound name
N-(4,4-diphenyl-6-piperidin-1-ylhexan-3-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.25146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 195.6
[M+Na]+ 399.24068 195.5
[M-H]- 375.24418 202.5
[M+NH4]+ 394.28528 205.0
[M+K]+ 415.21462 190.5
[M+H-H2O]+ 359.24872 184.4
[M+HCOO]- 421.24966 211.3
[M+CH3COO]- 435.26531 222.9
[M+Na-2H]- 397.22613 196.7
[M]+ 376.25091 191.1
[M]- 376.25201 191.1
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.