CID 152954

28129-90-0

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(C(C=C3)O)O
InChI
InChI=1S/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)
InChIKey
FEEKFEKCXIDMIS-UHFFFAOYSA-N
Compound name
5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

39
Patents

286.09537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 164.8
[M+Na]+ 309.08459 172.2
[M-H]- 285.08809 167.3
[M+NH4]+ 304.12919 178.5
[M+K]+ 325.05853 166.0
[M+H-H2O]+ 269.09263 157.3
[M+HCOO]- 331.09357 179.2
[M+CH3COO]- 345.10922 174.4
[M+Na-2H]- 307.07004 165.9
[M]+ 286.09482 158.3
[M]- 286.09592 158.3
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