CID 6145900

Ryu875g50o

Structural Information

Molecular Formula
C21H24O7
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H24O7/c1-23-16-9-13(10-17(24-2)20(16)27-5)7-8-15(22)14-11-18(25-3)21(28-6)19(12-14)26-4/h7-12H,1-6H3/b8-7+
InChIKey
WOJJYHZSZSSQJL-BQYQJAHWSA-N
Compound name
(E)-1,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10
Patents

388.1522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 188.2
[M+Na]+ 411.14142 196.5
[M-H]- 387.14492 195.6
[M+NH4]+ 406.18602 200.2
[M+K]+ 427.11536 195.4
[M+H-H2O]+ 371.14946 179.3
[M+HCOO]- 433.15040 210.8
[M+CH3COO]- 447.16605 223.4
[M+Na-2H]- 409.12687 187.7
[M]+ 388.15165 200.0
[M]- 388.15275 200.0
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