CID 67122

120-52-5

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

4824
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 180.3
[M+Na]+ 369.08459 193.5
[M+NH4]+ 364.12919 187.1
[M+K]+ 385.05853 185.8
[M-H]- 345.08809 187.0
[M+Na-2H]- 367.07004 191.1
[M]+ 346.09482 183.8
[M]- 346.09592 183.8
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

patents stripe