CID 67122

2,5-cyclohexadiene-1,4-dione, bis(o-benzoyloxime)

Structural Information

Molecular Formula
C20H14N2O4
SMILES
C1=CC=C(C=C1)C(=O)ON=C2C=CC(=NOC(=O)C3=CC=CC=C3)C=C2
InChI
InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H
InChIKey
WMVSVUVZSYRWIY-UHFFFAOYSA-N
Compound name
[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4825
Patents

346.09537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 179.2
[M+Na]+ 369.08459 183.7
[M-H]- 345.08809 190.9
[M+NH4]+ 364.12919 191.6
[M+K]+ 385.05853 181.0
[M+H-H2O]+ 329.09263 168.4
[M+HCOO]- 391.09357 205.9
[M+CH3COO]- 405.10922 216.6
[M+Na-2H]- 367.07004 184.3
[M]+ 346.09482 180.0
[M]- 346.09592 180.0
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

patents stripe