CID 43544

1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid

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

54
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 174.3
[M+Na]+ 333.15734 177.4
[M-H]- 309.16084 180.0
[M+NH4]+ 328.20194 187.3
[M+K]+ 349.13128 172.6
[M+H-H2O]+ 293.16538 164.5
[M+HCOO]- 355.16632 191.8
[M+CH3COO]- 369.18197 203.9
[M+Na-2H]- 331.14279 178.4
[M]+ 310.16757 168.3
[M]- 310.16867 168.3
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