CID 9574245

Phcon2 4acophch

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC(=O)OC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O3/c1-12(19)21-15-9-7-13(8-10-15)11-17-18-16(20)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20)/b17-11+
InChIKey
UPUFGDVFKFICHK-GZTJUZNOSA-N
Compound name
[4-[(E)-(benzoylhydrazinylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 164.0
[M+Na]+ 305.08965 169.6
[M-H]- 281.09315 171.9
[M+NH4]+ 300.13425 179.3
[M+K]+ 321.06359 167.0
[M+H-H2O]+ 265.09769 155.2
[M+HCOO]- 327.09863 190.5
[M+CH3COO]- 341.11428 205.1
[M+Na-2H]- 303.07510 169.1
[M]+ 282.09988 165.2
[M]- 282.10098 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.