CID 12298170

Ns00053269

Structural Information

Molecular Formula
C13H19N3O
SMILES
C[C@H]1CNCC[C@@]1(C(=O)N)NC2=CC=CC=C2
InChI
InChI=1S/C13H19N3O/c1-10-9-15-8-7-13(10,12(14)17)16-11-5-3-2-4-6-11/h2-6,10,15-16H,7-9H2,1H3,(H2,14,17)/t10-,13+/m0/s1
InChIKey
AYSXUQVRTPEXOH-GXFFZTMASA-N
Compound name
(3S,4R)-4-anilino-3-methylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 154.3
[M+Na]+ 256.142038 158.1
[M-H]- 232.145544 157.0
[M+NH4]+ 251.186643 170.7
[M+K]+ 272.115978 154.4
[M+H-H2O]+ 216.150080 146.8
[M+HCOO]- 278.151021 172.8
[M+CH3COO]- 292.166671 192.3
[M+Na-2H]- 254.127486 158.5
[M]+ 233.15227142 145.9
[M]- 233.15336858 145.9
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.