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]+ 278.12880 163.7
[M+Na]+ 300.11074 171.2
[M-H]- 276.11424 171.3
[M+NH4]+ 295.15534 178.0
[M+K]+ 316.08468 166.1
[M+H-H2O]+ 260.11878 153.8
[M+HCOO]- 322.11972 187.0
[M+CH3COO]- 336.13537 175.3
[M+Na-2H]- 298.09619 167.9
[M]+ 277.12097 163.1
[M]- 277.12207 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