CID 246292

Nsc59064

Structural Information

Molecular Formula
C20H16O4
SMILES
CCC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O
InChI
InChI=1S/C20H16O4/c1-2-12-8-10-14(11-9-12)16-19(23)17(21)15(18(22)20(16)24)13-6-4-3-5-7-13/h3-11,21,24H,2H2,1H3
InChIKey
LNOKZIKOAIKCOG-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-3,6-dihydroxy-5-phenylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.3
[M+Na]+ 343.09408 182.3
[M-H]- 319.09758 181.4
[M+NH4]+ 338.13868 186.4
[M+K]+ 359.06802 176.7
[M+H-H2O]+ 303.10212 164.9
[M+HCOO]- 365.10306 193.5
[M+CH3COO]- 379.11871 205.6
[M+Na-2H]- 341.07953 174.5
[M]+ 320.10431 173.4
[M]- 320.10541 173.4
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

No patent data available for this compound.