CID 6476936

(e)-1-(4-ethoxy-2,6-dihydroxy-phenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C20H22O7
SMILES
CCOC1=CC(=C(C(=C1)O)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C20H22O7/c1-5-27-13-10-15(22)19(16(23)11-13)14(21)7-6-12-8-17(24-2)20(26-4)18(9-12)25-3/h6-11,22-23H,5H2,1-4H3/b7-6+
InChIKey
JXHVTDXPHDDQGQ-VOTSOKGWSA-N
Compound name
(E)-1-(4-ethoxy-2,6-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 184.8
[M+Na]+ 397.12579 192.6
[M-H]- 373.12929 189.5
[M+NH4]+ 392.17039 196.0
[M+K]+ 413.09973 190.1
[M+H-H2O]+ 357.13383 176.6
[M+HCOO]- 419.13477 204.7
[M+CH3COO]- 433.15042 216.0
[M+Na-2H]- 395.11124 183.8
[M]+ 374.13602 192.6
[M]- 374.13712 192.6
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.