CID 3044663

57611-90-2

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O3/c1-26-20(25)21(22-19(24)18-10-6-3-7-11-18)12-14-23(15-13-21)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,22,24)
InChIKey
DAKAFGZOXOJSJH-UHFFFAOYSA-N
Compound name
methyl 4-benzamido-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 185.5
[M+Na]+ 375.16790 188.1
[M-H]- 351.17140 192.4
[M+NH4]+ 370.21250 197.4
[M+K]+ 391.14184 184.4
[M+H-H2O]+ 335.17594 175.1
[M+HCOO]- 397.17688 203.2
[M+CH3COO]- 411.19253 213.2
[M+Na-2H]- 373.15335 187.9
[M]+ 352.17813 181.9
[M]- 352.17923 181.9
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.