CID 188707

Garhwalin

Structural Information

Molecular Formula
C19H12O6
SMILES
COC1=C2C(=C3C=COC3=C1)OC=C(C2=O)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H12O6/c1-21-16-7-14-11(4-5-22-14)19-17(16)18(20)12(8-23-19)10-2-3-13-15(6-10)25-9-24-13/h2-8H,9H2,1H3
InChIKey
HEOAJOAZVYRLMA-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.0634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.070676 170.5
[M+Na]+ 359.052618 183.5
[M-H]- 335.056124 184.5
[M+NH4]+ 354.097223 185.7
[M+K]+ 375.026558 184.3
[M+H-H2O]+ 319.060660 166.1
[M+HCOO]- 381.061601 191.1
[M+CH3COO]- 395.077251 185.0
[M+Na-2H]- 357.038066 177.2
[M]+ 336.06285142 181.4
[M]- 336.06394858 181.4
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