CID 5981252

O-veratraldehyde, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula
C14H14N4O4
SMILES
COC1=CC=CC(=C1OC)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O4/c1-21-12-5-3-4-10(14(12)22-2)8-16-17-13-7-6-11(9-15-13)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-
InChIKey
DFGMYCMHZDHNJU-PXNMLYILSA-N
Compound name
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.108776 165.3
[M+Na]+ 325.090718 171.4
[M-H]- 301.094224 172.3
[M+NH4]+ 320.135323 177.9
[M+K]+ 341.064658 165.0
[M+H-H2O]+ 285.098760 159.9
[M+HCOO]- 347.099701 193.3
[M+CH3COO]- 361.115351 204.5
[M+Na-2H]- 323.076166 174.1
[M]+ 302.10095142 166.9
[M]- 302.10204858 166.9
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.