CID 3055589

72612-05-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 163.9
[M+Na]+ 302.126398 171.1
[M-H]- 278.129904 167.5
[M+NH4]+ 297.171003 178.6
[M+K]+ 318.100338 164.9
[M+H-H2O]+ 262.134440 154.7
[M+HCOO]- 324.135381 185.6
[M+CH3COO]- 338.151031 174.7
[M+Na-2H]- 300.111846 170.0
[M]+ 279.13663142 163.9
[M]- 279.13772858 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.