CID 215412

Brn 0429959

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC(=O)NC1=CCN(CC1)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H21N3O/c1-13(21)19-15-7-10-20(11-8-15)9-6-14-12-18-17-5-3-2-4-16(14)17/h2-5,7,12,18H,6,8-11H2,1H3,(H,19,21)
InChIKey
MLQZHLLRCLVKRO-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 166.8
[M+Na]+ 306.15768 172.9
[M-H]- 282.16118 170.1
[M+NH4]+ 301.20228 181.6
[M+K]+ 322.13162 167.1
[M+H-H2O]+ 266.16572 157.8
[M+HCOO]- 328.16666 185.6
[M+CH3COO]- 342.18231 176.9
[M+Na-2H]- 304.14313 170.1
[M]+ 283.16791 164.4
[M]- 283.16901 164.4
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.