CID 51662

N-(3-(3-indolyl)propyl)isonicotinamide hydrochloride hydrate

Structural Information

Molecular Formula
C17H17N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H17N3O/c21-17(13-7-10-18-11-8-13)19-9-3-4-14-12-20-16-6-2-1-5-15(14)16/h1-2,5-8,10-12,20H,3-4,9H2,(H,19,21)
InChIKey
PEFNKDXWZHRFRG-UHFFFAOYSA-N
Compound name
N-[3-(1H-indol-3-yl)propyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 163.9
[M+Na]+ 302.12640 171.1
[M-H]- 278.12990 167.5
[M+NH4]+ 297.17100 178.6
[M+K]+ 318.10034 164.9
[M+H-H2O]+ 262.13444 154.7
[M+HCOO]- 324.13538 185.6
[M+CH3COO]- 338.15103 174.7
[M+Na-2H]- 300.11185 170.0
[M]+ 279.13663 163.9
[M]- 279.13773 163.9
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.