CID 5332009

2pyrcon2 phcho

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=N2
InChI
InChI=1S/C13H11N3O/c17-13(12-8-4-5-9-14-12)16-15-10-11-6-2-1-3-7-11/h1-10H,(H,16,17)/b15-10+
InChIKey
VKHPPPQEBGYWOR-XNTDXEJSSA-N
Compound name
N-[(E)-benzylideneamino]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.6
[M+Na]+ 248.07943 154.7
[M-H]- 224.08293 155.0
[M+NH4]+ 243.12403 164.8
[M+K]+ 264.05337 151.4
[M+H-H2O]+ 208.08747 139.5
[M+HCOO]- 270.08841 175.2
[M+CH3COO]- 284.10406 193.9
[M+Na-2H]- 246.06488 157.5
[M]+ 225.08966 147.5
[M]- 225.09076 147.5
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.