CID 9658138

4-(2-acetylcarbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O3/c1-12(19)18-17-11-13-7-9-15(10-8-13)21-16(20)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)/b17-11+
InChIKey
KHKWSBFEHJHLDY-GZTJUZNOSA-N
Compound name
[4-[(E)-(acetylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 165.2
[M+Na]+ 305.08965 177.1
[M+NH4]+ 300.13425 172.0
[M+K]+ 321.06359 170.5
[M-H]- 281.09315 169.6
[M+Na-2H]- 303.07510 173.7
[M]+ 282.09988 167.9
[M]- 282.10098 167.9
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.