CID 9697403

N'-[(e)-(3-iodo-4,5-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide

Structural Information

Molecular Formula
C15H14IN3O3
SMILES
COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)I)OC
InChI
InChI=1S/C15H14IN3O3/c1-21-13-8-10(7-12(16)14(13)22-2)9-18-19-15(20)11-3-5-17-6-4-11/h3-9H,1-2H3,(H,19,20)/b18-9+
InChIKey
PRIVCIFEBBCSLL-GIJQJNRQSA-N
Compound name
N-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.008 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.01528 182.3
[M+Na]+ 433.99722 182.4
[M-H]- 410.00072 181.8
[M+NH4]+ 429.04182 191.1
[M+K]+ 449.97116 185.6
[M+H-H2O]+ 394.00526 168.9
[M+HCOO]- 456.00620 202.6
[M+CH3COO]- 470.02185 217.3
[M+Na-2H]- 431.98267 174.9
[M]+ 411.00745 182.8
[M]- 411.00855 182.8
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.