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
3
Annotation Hits

6
References

73
Patents

310.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 174.3
[M+Na]+ 333.157338 177.4
[M-H]- 309.160844 180.0
[M+NH4]+ 328.201943 187.3
[M+K]+ 349.131278 172.6
[M+H-H2O]+ 293.165380 164.5
[M+HCOO]- 355.166321 191.8
[M+CH3COO]- 369.181971 203.9
[M+Na-2H]- 331.142786 178.4
[M]+ 310.16757142 168.3
[M]- 310.16866858 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