CID 96411

1024-11-9

Structural Information

Molecular Formula
C14H21N3O
SMILES
CNC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C14H21N3O/c1-16-14(13(15)18)7-9-17(10-8-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3,(H2,15,18)
InChIKey
YSCWOBPZXSXBGB-UHFFFAOYSA-N
Compound name
1-benzyl-4-(methylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

247.16846 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 158.3
[M+Na]+ 270.15768 162.1
[M-H]- 246.16118 162.2
[M+NH4]+ 265.20228 174.8
[M+K]+ 286.13162 159.0
[M+H-H2O]+ 230.16572 150.2
[M+HCOO]- 292.16666 178.0
[M+CH3COO]- 306.18231 197.7
[M+Na-2H]- 268.14313 162.5
[M]+ 247.16791 152.1
[M]- 247.16901 152.1
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