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]+ 323.127776 175.3
[M+Na]+ 345.109718 180.1
[M-H]- 321.113224 179.0
[M+NH4]+ 340.154323 187.5
[M+K]+ 361.083658 175.4
[M+H-H2O]+ 305.117760 168.0
[M+HCOO]- 367.118701 192.3
[M+CH3COO]- 381.134351 204.8
[M+Na-2H]- 343.095166 173.2
[M]+ 322.11995142 173.9
[M]- 322.12104858 173.9
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.