CID 3044733

4-piperidinecarboxylic acid, 4-(benzoylamino)-1-(phenylmethyl)-, butyl ester, ethanedioate (1:1)

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H30N2O3/c1-2-3-18-29-23(28)24(25-22(27)21-12-8-5-9-13-21)14-16-26(17-15-24)19-20-10-6-4-7-11-20/h4-13H,2-3,14-19H2,1H3,(H,25,27)
InChIKey
RTSPZYDZWQSNHA-UHFFFAOYSA-N
Compound name
butyl 4-benzamido-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 198.5
[M+Na]+ 417.21487 199.6
[M-H]- 393.21837 204.6
[M+NH4]+ 412.25947 208.5
[M+K]+ 433.18881 195.4
[M+H-H2O]+ 377.22291 187.4
[M+HCOO]- 439.22385 215.1
[M+CH3COO]- 453.23950 222.0
[M+Na-2H]- 415.20032 199.3
[M]+ 394.22510 195.8
[M]- 394.22620 195.8
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

No patent data available for this compound.