CID 5335206

292180-71-3

Structural Information

Molecular Formula
C15H13N3O3
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H13N3O3/c1-21-15(20)12-6-4-11(5-7-12)9-17-18-14(19)13-3-2-8-16-10-13/h2-10H,1H3,(H,18,19)/b17-9+
InChIKey
TXNOAMVFDNFDSO-RQZCQDPDSA-N
Compound name
methyl 4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 164.2
[M+Na]+ 306.08492 176.1
[M+NH4]+ 301.12952 170.3
[M+K]+ 322.05886 170.0
[M-H]- 282.08842 167.8
[M+Na-2H]- 304.07037 172.5
[M]+ 283.09515 166.6
[M]- 283.09625 166.6
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.