CID 59345

L-n-(1-hydroxy-2-propyl)-1-(3-indolylmethyl)isonipecotamide

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC(CO)NC(=O)C1CCN(CC1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H25N3O2/c1-13(12-22)20-18(23)14-6-8-21(9-7-14)11-15-10-19-17-5-3-2-4-16(15)17/h2-5,10,13-14,19,22H,6-9,11-12H2,1H3,(H,20,23)
InChIKey
MINFLCSDCVZVKX-UHFFFAOYSA-N
Compound name
N-(1-hydroxypropan-2-yl)-1-(1H-indol-3-ylmethyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 175.4
[M+Na]+ 338.18389 179.1
[M-H]- 314.18739 176.9
[M+NH4]+ 333.22849 187.9
[M+K]+ 354.15783 173.8
[M+H-H2O]+ 298.19193 166.6
[M+HCOO]- 360.19287 190.1
[M+CH3COO]- 374.20852 204.4
[M+Na-2H]- 336.16934 175.9
[M]+ 315.19412 170.9
[M]- 315.19522 170.9
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.