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 175.3
[M+Na]+ 345.10972 180.1
[M-H]- 321.11322 179.0
[M+NH4]+ 340.15432 187.5
[M+K]+ 361.08366 175.4
[M+H-H2O]+ 305.11776 168.0
[M+HCOO]- 367.11870 192.3
[M+CH3COO]- 381.13435 204.8
[M+Na-2H]- 343.09517 173.2
[M]+ 322.11995 173.9
[M]- 322.12105 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.