CID 6447149

Piperidine, 1-(4-(2-(2-phenylethenyl)phenoxy)butyl)-, hydrochloride

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CCN(CC1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H29NO/c1-3-11-21(12-4-1)15-16-22-13-5-6-14-23(22)25-20-10-9-19-24-17-7-2-8-18-24/h1,3-6,11-16H,2,7-10,17-20H2/b16-15+
InChIKey
DZUMOICABHIUTM-FOCLMDBBSA-N
Compound name
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

335.2249 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.2
[M+Na]+ 358.214118 187.1
[M-H]- 334.217624 190.9
[M+NH4]+ 353.258723 196.2
[M+K]+ 374.188058 180.7
[M+H-H2O]+ 318.222160 174.0
[M+HCOO]- 380.223101 202.4
[M+CH3COO]- 394.238751 210.1
[M+Na-2H]- 356.199566 186.9
[M]+ 335.22435142 181.5
[M]- 335.22544858 181.5
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

patents stripe