CID 44418

Brn 0419050

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=NC2=CC=CC=C2C1CCNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H17N3O/c1-12-14(15-4-2-3-5-16(15)20-12)8-11-19-17(21)13-6-9-18-10-7-13/h2-7,9-10,14H,8,11H2,1H3,(H,19,21)
InChIKey
YQRIYWQWMCZYOD-UHFFFAOYSA-N
Compound name
N-[2-(2-methyl-3H-indol-3-yl)ethyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 165.3
[M+Na]+ 302.126398 172.9
[M-H]- 278.129904 170.4
[M+NH4]+ 297.171003 181.0
[M+K]+ 318.100338 167.8
[M+H-H2O]+ 262.134440 156.0
[M+HCOO]- 324.135381 187.1
[M+CH3COO]- 338.151031 176.6
[M+Na-2H]- 300.111846 170.1
[M]+ 279.13663142 166.1
[M]- 279.13772858 166.1
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.