CID 135537319

3-[(e)-[(e)-3-pyridylmethylenehydrazono]methyl]benzene-1,2-diol

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC(=C(C(=C1)O)O)/C=N/N=C/C2=CN=CC=C2
InChI
InChI=1S/C13H11N3O2/c17-12-5-1-4-11(13(12)18)9-16-15-8-10-3-2-6-14-7-10/h1-9,17-18H/b15-8+,16-9+
InChIKey
YBEXOGUHUROUQR-BVXMOGEKSA-N
Compound name
3-[(E)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 151.9
[M+Na]+ 264.07435 159.7
[M-H]- 240.07785 157.7
[M+NH4]+ 259.11895 167.4
[M+K]+ 280.04829 155.6
[M+H-H2O]+ 224.08239 143.2
[M+HCOO]- 286.08333 178.2
[M+CH3COO]- 300.09898 195.0
[M+Na-2H]- 262.05980 160.0
[M]+ 241.08458 151.7
[M]- 241.08568 151.8
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.