CID 9555927

Nsc655514

Structural Information

Molecular Formula
C16H17N3O3
SMILES
COC1=CC(=C(C=C1)OC)/C=N/N=C(/C2=CC=NC=C2)\OC
InChI
InChI=1S/C16H17N3O3/c1-20-14-4-5-15(21-2)13(10-14)11-18-19-16(22-3)12-6-8-17-9-7-12/h4-11H,1-3H3/b18-11+,19-16-
InChIKey
XSXSVERHJYPHJM-DZKKHAQYSA-N
Compound name
methyl (NE,4Z)-N-[(2,5-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.12698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 168.8
[M+Na]+ 322.11620 175.7
[M-H]- 298.11970 176.9
[M+NH4]+ 317.16080 183.3
[M+K]+ 338.09014 173.9
[M+H-H2O]+ 282.12424 158.7
[M+HCOO]- 344.12518 196.3
[M+CH3COO]- 358.14083 211.3
[M+Na-2H]- 320.10165 175.1
[M]+ 299.12643 174.1
[M]- 299.12753 174.1
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.