CID 135511230

[[(2z)-2-[(e)-(4-hydroxy-3-methoxy-phenyl)methylenehydrazono]ethyl]amino] pyridine-3-carboxylate

Structural Information

Molecular Formula
C16H16N4O4
SMILES
COC1=C(C=CC(=C1)/C=N/N=C\CNOC(=O)C2=CN=CC=C2)O
InChI
InChI=1S/C16H16N4O4/c1-23-15-9-12(4-5-14(15)21)10-19-18-7-8-20-24-16(22)13-3-2-6-17-11-13/h2-7,9-11,20-21H,8H2,1H3/b18-7-,19-10+
InChIKey
KDJAFWTVSUUPFI-WNOVGRNFSA-N
Compound name
[[(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]ethyl]amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.11716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12444 173.2
[M+Na]+ 351.10638 178.7
[M-H]- 327.10988 179.8
[M+NH4]+ 346.15098 185.0
[M+K]+ 367.08032 176.2
[M+H-H2O]+ 311.11442 162.7
[M+HCOO]- 373.11536 200.5
[M+CH3COO]- 387.13101 215.6
[M+Na-2H]- 349.09183 179.7
[M]+ 328.11661 176.5
[M]- 328.11771 176.5
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.