CID 3047279

N-(2-(2-methyl-3-indolyl)ethyl)nicotinamide

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H17N3O/c1-12-14(15-6-2-3-7-16(15)20-12)8-10-19-17(21)13-5-4-9-18-11-13/h2-7,9,11,20H,8,10H2,1H3,(H,19,21)
InChIKey
ZYQBXAZSRSUNTE-UHFFFAOYSA-N
Compound name
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 164.6
[M+Na]+ 302.12640 172.8
[M-H]- 278.12990 168.7
[M+NH4]+ 297.17100 179.7
[M+K]+ 318.10034 166.6
[M+H-H2O]+ 262.13444 155.7
[M+HCOO]- 324.13538 186.3
[M+CH3COO]- 338.15103 175.8
[M+Na-2H]- 300.11185 170.0
[M]+ 279.13663 165.0
[M]- 279.13773 165.0
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

patents stripe