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]+ 284.10298 163.5
[M+Na]+ 306.08492 169.4
[M-H]- 282.08842 170.1
[M+NH4]+ 301.12952 177.3
[M+K]+ 322.05886 166.9
[M+H-H2O]+ 266.09296 153.9
[M+HCOO]- 328.09390 189.0
[M+CH3COO]- 342.10955 204.7
[M+Na-2H]- 304.07037 169.4
[M]+ 283.09515 164.8
[M]- 283.09625 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.