CID 44259677

151649-34-2

Structural Information

Molecular Formula
C21H20O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)C
InChI
InChI=1S/C21H20O7/c1-10(2)4-6-12-14(23)9-16-17(18(12)25)19(26)21(27-3)20(28-16)11-5-7-13(22)15(24)8-11/h4-5,7-9,22-25H,6H2,1-3H3
InChIKey
XREZFYPTHFWMDM-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

384.1209 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 189.0
[M+Na]+ 407.11012 198.5
[M-H]- 383.11362 193.6
[M+NH4]+ 402.15472 198.4
[M+K]+ 423.08406 195.3
[M+H-H2O]+ 367.11816 181.2
[M+HCOO]- 429.11910 204.0
[M+CH3COO]- 443.13475 216.4
[M+Na-2H]- 405.09557 189.0
[M]+ 384.12035 193.9
[M]- 384.12145 193.9
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