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

61
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

literature stripe

Patent stripe

patents stripe