CID 5706311

Brn 5442430

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)/C=C(\O)/C2=CC=C(C=C2)C)/O
InChI
InChI=1S/C20H18O4/c1-13-3-7-15(8-4-13)17(21)11-19(23)20(24)12-18(22)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3/b17-11-,18-12-
InChIKey
KWTVOUUUBMHLSR-WHYMJUELSA-N
Compound name
(1Z,5Z)-1,6-dihydroxy-1,6-bis(4-methylphenyl)hexa-1,5-diene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 176.2
[M+Na]+ 345.10972 187.5
[M+NH4]+ 340.15432 181.3
[M+K]+ 361.08366 182.5
[M-H]- 321.11322 177.4
[M+Na-2H]- 343.09517 181.2
[M]+ 322.11995 177.8
[M]- 322.12105 177.8
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

No patent data available for this compound.