CID 92409

85375-85-5

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)
InChIKey
TXQKSMSLZVKQBI-UHFFFAOYSA-N
Compound name
1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

131
References

203
Patents

335.18854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 182.9
[M+Na]+ 358.17776 184.5
[M-H]- 334.18126 187.8
[M+NH4]+ 353.22236 193.0
[M+K]+ 374.15170 178.6
[M+H-H2O]+ 318.18580 172.6
[M+HCOO]- 380.18674 197.4
[M+CH3COO]- 394.20239 207.7
[M+Na-2H]- 356.16321 182.6
[M]+ 335.18799 176.8
[M]- 335.18909 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe