CID 71307295

Chebi:173267

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=CC2=C(CC(C(O2)C3=CC4=C(C=C3)OCO4)O)C(=C1)OC
InChI
InChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3
InChIKey
MMKQEVQTCAAXTI-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1
Patents

330.11035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 173.0
[M+Na]+ 353.09957 181.3
[M-H]- 329.10307 182.5
[M+NH4]+ 348.14417 186.2
[M+K]+ 369.07351 181.8
[M+H-H2O]+ 313.10761 166.5
[M+HCOO]- 375.10855 188.6
[M+CH3COO]- 389.12420 184.8
[M+Na-2H]- 351.08502 177.6
[M]+ 330.10980 178.1
[M]- 330.11090 178.1
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.