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]+ 280.14446 165.3
[M+Na]+ 302.12640 172.9
[M-H]- 278.12990 170.4
[M+NH4]+ 297.17100 181.0
[M+K]+ 318.10034 167.8
[M+H-H2O]+ 262.13444 156.0
[M+HCOO]- 324.13538 187.1
[M+CH3COO]- 338.15103 176.6
[M+Na-2H]- 300.11185 170.1
[M]+ 279.13663 166.1
[M]- 279.13773 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.