CID 16762225

Chrysosplin

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=C(C=CC(=C1)O)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC
InChI
InChI=1S/C19H18O8/c1-23-11-7-9(20)5-6-10(11)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey
CFNSGYKQUBNELL-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10016 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 182.4
[M+Na]+ 397.08938 193.4
[M-H]- 373.09288 190.0
[M+NH4]+ 392.13398 193.7
[M+K]+ 413.06332 192.9
[M+H-H2O]+ 357.09742 173.9
[M+HCOO]- 419.09836 202.1
[M+CH3COO]- 433.11401 217.1
[M+Na-2H]- 395.07483 185.7
[M]+ 374.09961 193.0
[M]- 374.10071 193.0
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.