CID 59345

Isonipecotamide, n-(2-hydroxy-1-methylethyl)-1-(3-indolylmethyl)-

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]+ 316.201946 175.4
[M+Na]+ 338.183888 179.1
[M-H]- 314.187394 176.9
[M+NH4]+ 333.228493 187.9
[M+K]+ 354.157828 173.8
[M+H-H2O]+ 298.191930 166.6
[M+HCOO]- 360.192871 190.1
[M+CH3COO]- 374.208521 204.4
[M+Na-2H]- 336.169336 175.9
[M]+ 315.19412142 170.9
[M]- 315.19521858 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.