CID 147201

117211-99-1

Structural Information

Molecular Formula
C19H20O7
SMILES
CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)O)OC)O
InChI
InChI=1S/C19H20O7/c1-19(21)8-12(10-4-16(22-2)18(20)17(5-10)23-3)11-6-14-15(25-9-24-14)7-13(11)26-19/h4-7,12,20-21H,8-9H2,1-3H3
InChIKey
IZBPVUYUOQFKQB-UHFFFAOYSA-N
Compound name
8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.1209 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 180.5
[M+Na]+ 383.11012 189.7
[M-H]- 359.11362 189.2
[M+NH4]+ 378.15472 194.1
[M+K]+ 399.08406 190.2
[M+H-H2O]+ 343.11816 174.5
[M+HCOO]- 405.11910 194.3
[M+CH3COO]- 419.13475 191.9
[M+Na-2H]- 381.09557 185.2
[M]+ 360.12035 186.7
[M]- 360.12145 186.7
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

patents stripe