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

literature stripe

Patent stripe

patents stripe