CID 131769980

Phenytoin quinone

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=O)C(=O)C=C3
InChI
InChI=1S/C15H10N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8H,(H2,16,17,20,21)
InChIKey
AWCFFJFKIPSEFH-UHFFFAOYSA-N
Compound name
5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 161.7
[M+Na]+ 305.05328 170.6
[M-H]- 281.05678 166.9
[M+NH4]+ 300.09788 176.7
[M+K]+ 321.02722 164.8
[M+H-H2O]+ 265.06132 153.7
[M+HCOO]- 327.06226 179.5
[M+CH3COO]- 341.07791 192.0
[M+Na-2H]- 303.03873 163.6
[M]+ 282.06351 157.3
[M]- 282.06461 157.3
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