CID 1550385

(1e,4e)-1,5-bis(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one

Structural Information

Molecular Formula
C23H26O7
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C23H26O7/c1-25-18-11-15(12-19(26-2)22(18)29-5)7-9-17(24)10-8-16-13-20(27-3)23(30-6)21(14-16)28-4/h7-14H,1-6H3/b9-7+,10-8+
InChIKey
QMBQAUFXKZCNOT-FIFLTTCUSA-N
Compound name
(1E,4E)-1,5-bis(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

25
Patents

414.16785 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17513 196.1
[M+Na]+ 437.15707 203.9
[M-H]- 413.16057 203.1
[M+NH4]+ 432.20167 207.0
[M+K]+ 453.13101 201.7
[M+H-H2O]+ 397.16511 186.9
[M+HCOO]- 459.16605 218.2
[M+CH3COO]- 473.18170 227.9
[M+Na-2H]- 435.14252 194.6
[M]+ 414.16730 207.8
[M]- 414.16840 207.8
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

patents stripe