CID 11487078

Flll31

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(C(=O)/C=C/C1=CC(=C(C=C1)OC)OC)(C(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C25H28O6/c1-25(2,23(26)13-9-17-7-11-19(28-3)21(15-17)30-5)24(27)14-10-18-8-12-20(29-4)22(16-18)31-6/h7-16H,1-6H3/b13-9+,14-10+
InChIKey
VMMZAMVBGQWOHT-UTLPMFLDSA-N
Compound name
(1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4,4-dimethylhepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

424.1886 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 201.2
[M+Na]+ 447.17782 207.0
[M-H]- 423.18132 207.6
[M+NH4]+ 442.22242 211.2
[M+K]+ 463.15176 204.1
[M+H-H2O]+ 407.18586 192.5
[M+HCOO]- 469.18680 220.2
[M+CH3COO]- 483.20245 229.5
[M+Na-2H]- 445.16327 199.9
[M]+ 424.18805 209.7
[M]- 424.18915 209.7
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

patents stripe