CID 1715307

Derrusnin

Structural Information

Molecular Formula
C19H16O7
SMILES
COC1=CC2=C(C(=C1)OC)C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C19H16O7/c1-21-11-7-14(22-2)17-15(8-11)26-19(20)16(18(17)23-3)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
InChIKey
PZYZNVLXKYMURF-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-4,5,7-trimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

356.0896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09688 178.3
[M+Na]+ 379.07882 189.5
[M-H]- 355.08232 190.3
[M+NH4]+ 374.12342 191.4
[M+K]+ 395.05276 190.7
[M+H-H2O]+ 339.08686 171.3
[M+HCOO]- 401.08780 198.2
[M+CH3COO]- 415.10345 191.6
[M+Na-2H]- 377.06427 184.0
[M]+ 356.08905 189.5
[M]- 356.09015 189.5
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