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]+ 283.107706 164.0
[M+Na]+ 305.089648 169.6
[M-H]- 281.093154 171.9
[M+NH4]+ 300.134253 179.3
[M+K]+ 321.063588 167.0
[M+H-H2O]+ 265.097690 155.2
[M+HCOO]- 327.098631 190.5
[M+CH3COO]- 341.114281 205.1
[M+Na-2H]- 303.075096 169.1
[M]+ 282.09988142 165.2
[M]- 282.10097858 165.2
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.