CID 42907684

69751-45-7

Structural Information

Molecular Formula
C18H15N3O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC=CC=N3
InChI
InChI=1S/C18H15N3O/c22-18(16-11-5-7-13-20-16)21-17(14-8-2-1-3-9-14)15-10-4-6-12-19-15/h1-13,17H,(H,21,22)
InChIKey
CQRZHUMHDKYKQN-UHFFFAOYSA-N
Compound name
N-[phenyl(pyridin-2-yl)methyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 166.8
[M+Na]+ 312.11074 171.6
[M-H]- 288.11424 173.0
[M+NH4]+ 307.15534 177.8
[M+K]+ 328.08468 166.4
[M+H-H2O]+ 272.11878 155.7
[M+HCOO]- 334.11972 187.7
[M+CH3COO]- 348.13537 176.7
[M+Na-2H]- 310.09619 173.7
[M]+ 289.12097 164.1
[M]- 289.12207 164.1
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