CID 5281608

Chrysosplenetin

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
InChI
InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)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
NBVTYGIYKCPHQN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

59
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 184.0
[M+Na]+ 397.08938 199.2
[M+NH4]+ 392.13398 189.3
[M+K]+ 413.06332 194.4
[M-H]- 373.09288 187.8
[M+Na-2H]- 395.07483 188.5
[M]+ 374.09961 187.3
[M]- 374.10071 187.3
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