CID 70668

1096-03-3

Structural Information

Molecular Formula
C19H23N3O
SMILES
C1CN(CCC1(C(=O)N)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,21H,11-15H2,(H2,20,23)
InChIKey
PUFOFCNHIWPPNN-UHFFFAOYSA-N
Compound name
4-anilino-1-benzylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

62
Patents

309.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 174.1
[M+Na]+ 332.17332 176.9
[M-H]- 308.17682 180.6
[M+NH4]+ 327.21792 187.3
[M+K]+ 348.14726 172.0
[M+H-H2O]+ 292.18136 164.0
[M+HCOO]- 354.18230 193.4
[M+CH3COO]- 368.19795 182.9
[M+Na-2H]- 330.15877 178.2
[M]+ 309.18355 167.0
[M]- 309.18465 167.0
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.