CID 135573310

Beta-resorcylaldehyde, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula
C12H10N4O4
SMILES
C1=CC(=C(C=C1O)O)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O4/c17-10-3-1-8(11(18)5-10)6-14-15-12-4-2-9(7-13-12)16(19)20/h1-7,17-18H,(H,13,15)/b14-6+
InChIKey
VMBSMRLYXJOQEZ-MKMNVTDBSA-N
Compound name
4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0702 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 154.8
[M+Na]+ 297.05942 161.1
[M-H]- 273.06292 159.5
[M+NH4]+ 292.10402 167.2
[M+K]+ 313.03336 153.4
[M+H-H2O]+ 257.06746 150.6
[M+HCOO]- 319.06840 180.6
[M+CH3COO]- 333.08405 193.4
[M+Na-2H]- 295.04487 164.1
[M]+ 274.06965 152.2
[M]- 274.07075 152.2
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.