CID 6862726

Benzoic (4-pyridylmethylene)hydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.097486 148.6
[M+Na]+ 248.079428 154.7
[M-H]- 224.082934 155.0
[M+NH4]+ 243.124033 164.8
[M+K]+ 264.053368 151.4
[M+H-H2O]+ 208.087470 139.5
[M+HCOO]- 270.088411 175.2
[M+CH3COO]- 284.104061 193.9
[M+Na-2H]- 246.064876 157.5
[M]+ 225.08966142 147.5
[M]- 225.09075858 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

literature stripe

Patent stripe

No patent data available for this compound.