CID 44257369

Platycarpanetin

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=C2C(=C(C(=C1)O)OC)OC=C(C2=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H14O7/c1-21-14-6-11(19)17(22-2)18-15(14)16(20)10(7-23-18)9-3-4-12-13(5-9)25-8-24-12/h3-7,19H,8H2,1-2H3
InChIKey
TUUUCKKLTDTANU-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-7-hydroxy-5,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.081216 173.7
[M+Na]+ 365.063158 185.0
[M-H]- 341.066664 184.6
[M+NH4]+ 360.107763 186.7
[M+K]+ 381.037098 185.5
[M+H-H2O]+ 325.071200 167.2
[M+HCOO]- 387.072141 192.5
[M+CH3COO]- 401.087791 186.8
[M+Na-2H]- 363.048606 179.6
[M]+ 342.07339142 182.9
[M]- 342.07448858 182.9
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

No patent data available for this compound.