CID 96428

4-anilinopiperidine-4-carboxamide

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CNCCC1(C(=O)N)NC2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c13-11(16)12(6-8-14-9-7-12)15-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2,(H2,13,16)
InChIKey
WAIIZELGDHTPRX-UHFFFAOYSA-N
Compound name
4-anilinopiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

219.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.144436 149.7
[M+Na]+ 242.126378 153.0
[M-H]- 218.129884 152.2
[M+NH4]+ 237.170983 166.3
[M+K]+ 258.100318 149.4
[M+H-H2O]+ 202.134420 142.0
[M+HCOO]- 264.135361 168.5
[M+CH3COO]- 278.151011 188.1
[M+Na-2H]- 240.111826 155.2
[M]+ 219.13661142 140.5
[M]- 219.13770858 140.5
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