CID 5392427

Isonicotinic acid (3,4,5-trimethoxybenzylidene)-hydrazide

Structural Information

Molecular Formula
C16H17N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N\NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H17N3O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-18-19-16(20)12-4-6-17-7-5-12/h4-10H,1-3H3,(H,19,20)/b18-10-
InChIKey
QXLMRSDBFLKAPR-ZDLGFXPLSA-N
Compound name
N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12192 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.129196 171.5
[M+Na]+ 338.111138 178.6
[M-H]- 314.114644 178.6
[M+NH4]+ 333.155743 184.7
[M+K]+ 354.085078 176.7
[M+H-H2O]+ 298.119180 161.6
[M+HCOO]- 360.120121 197.6
[M+CH3COO]- 374.135771 212.9
[M+Na-2H]- 336.096586 176.7
[M]+ 315.12137142 176.8
[M]- 315.12246858 176.8
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.