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]+ 280.14446 165.5
[M+Na]+ 302.12640 179.0
[M+NH4]+ 297.17100 173.1
[M+K]+ 318.10034 172.7
[M-H]- 278.12990 169.0
[M+Na-2H]- 300.11185 173.8
[M]+ 279.13663 168.3
[M]- 279.13773 168.3
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.