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]+ 284.175736 166.8
[M+Na]+ 306.157678 172.9
[M-H]- 282.161184 170.1
[M+NH4]+ 301.202283 181.6
[M+K]+ 322.131618 167.1
[M+H-H2O]+ 266.165720 157.8
[M+HCOO]- 328.166661 185.6
[M+CH3COO]- 342.182311 176.9
[M+Na-2H]- 304.143126 170.1
[M]+ 283.16791142 164.4
[M]- 283.16900858 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.