CID 6870931

Benzoic (3-pyridylmethylene)hydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

225.09021 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe