CID 5747344

Brn 5452278

Structural Information

Molecular Formula
C22H22O6
SMILES
CCOC1=CC=C(C=C1)/C(=C/C(=O)C(=O)/C=C(\O)/C2=CC=C(C=C2)OCC)/O
InChI
InChI=1S/C22H22O6/c1-3-27-17-9-5-15(6-10-17)19(23)13-21(25)22(26)14-20(24)16-7-11-18(12-8-16)28-4-2/h5-14,23-24H,3-4H2,1-2H3/b19-13-,20-14-
InChIKey
MDZZJQYUXVWMFC-AXPXABNXSA-N
Compound name
(1Z,5Z)-1,6-bis(4-ethoxyphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14163 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14891 190.2
[M+Na]+ 405.13085 193.6
[M-H]- 381.13435 193.3
[M+NH4]+ 400.17545 199.6
[M+K]+ 421.10479 190.1
[M+H-H2O]+ 365.13889 181.8
[M+HCOO]- 427.13983 206.8
[M+CH3COO]- 441.15548 215.0
[M+Na-2H]- 403.11630 187.2
[M]+ 382.14108 192.3
[M]- 382.14218 192.3
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.