CID 9574234

Inh 4acophcho d

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC(=O)OC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H13N3O3/c1-11(19)21-14-4-2-12(3-5-14)10-17-18-15(20)13-6-8-16-9-7-13/h2-10H,1H3,(H,18,20)/b17-10+
InChIKey
SCHDCQQKEVANRH-LICLKQGHSA-N
Compound name
[4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 163.5
[M+Na]+ 306.084918 169.4
[M-H]- 282.088424 170.1
[M+NH4]+ 301.129523 177.3
[M+K]+ 322.058858 166.9
[M+H-H2O]+ 266.092960 153.9
[M+HCOO]- 328.093901 189.0
[M+CH3COO]- 342.109551 204.7
[M+Na-2H]- 304.070366 169.4
[M]+ 283.09515142 164.8
[M]- 283.09624858 164.8
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.