CID 9561288

Piperonal, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula
C13H10N4O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O4/c18-17(19)10-2-4-13(14-7-10)16-15-6-9-1-3-11-12(5-9)21-8-20-11/h1-7H,8H2,(H,14,16)/b15-6+
InChIKey
VPFYTRFENPZHFQ-GIDUJCDVSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0702 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 159.1
[M+Na]+ 309.05942 165.0
[M-H]- 285.06292 168.1
[M+NH4]+ 304.10402 172.1
[M+K]+ 325.03336 160.3
[M+H-H2O]+ 269.06746 154.7
[M+HCOO]- 331.06840 184.6
[M+CH3COO]- 345.08405 198.9
[M+Na-2H]- 307.04487 170.4
[M]+ 286.06965 159.5
[M]- 286.07075 159.5
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.