CID 43544

85098-64-2

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O2/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2,(H,22,23)
InChIKey
YFSCBWDAVTYIMM-UHFFFAOYSA-N
Compound name
4-anilino-1-benzylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

310.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.9
[M+Na]+ 333.15734 188.2
[M+NH4]+ 328.20194 184.9
[M+K]+ 349.13128 178.6
[M-H]- 309.16084 181.6
[M+Na-2H]- 331.14279 186.3
[M]+ 310.16757 179.3
[M]- 310.16867 179.3
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