CID 56615

93317-30-7

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=CC=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O/c1-13-7-8-16(14-5-3-2-4-6-14)20(13)19-17(21)15-9-11-18-12-10-15/h2-12H,1H3,(H,19,21)
InChIKey
GSNCULKQXLYSEC-UHFFFAOYSA-N
Compound name
N-(2-methyl-5-phenylpyrrol-1-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

277.12152 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.128796 163.7
[M+Na]+ 300.110738 171.2
[M-H]- 276.114244 171.3
[M+NH4]+ 295.155343 178.0
[M+K]+ 316.084678 166.1
[M+H-H2O]+ 260.118780 153.8
[M+HCOO]- 322.119721 187.0
[M+CH3COO]- 336.135371 175.3
[M+Na-2H]- 298.096186 167.9
[M]+ 277.12097142 163.1
[M]- 277.12206858 163.1
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

patents stripe