CID 5951499

Rubone

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC)O
InChI
InChI=1S/C20H22O7/c1-23-13-9-15(22)20(19(10-13)27-5)14(21)7-6-12-8-17(25-3)18(26-4)11-16(12)24-2/h6-11,22H,1-5H3/b7-6+
InChIKey
VHCQVGQULWFQTM-VOTSOKGWSA-N
Compound name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

851
Patents

374.13657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 184.2
[M+Na]+ 397.12579 192.5
[M-H]- 373.12929 190.3
[M+NH4]+ 392.17039 196.1
[M+K]+ 413.09973 190.8
[M+H-H2O]+ 357.13383 175.7
[M+HCOO]- 419.13477 205.6
[M+CH3COO]- 433.15042 218.2
[M+Na-2H]- 395.11124 183.7
[M]+ 374.13602 193.8
[M]- 374.13712 193.8
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