CID 5280699

Chrysosplenol d

Structural Information

Molecular Formula
C18H16O8
SMILES
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC
InChI
InChI=1S/C18H16O8/c1-23-12-7-11-13(14(21)17(12)24-2)15(22)18(25-3)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3
InChIKey
BYWLLSQTJBXAPV-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

41
Patents

360.0845 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09178 180.1
[M+Na]+ 383.07372 195.0
[M+NH4]+ 378.11832 185.2
[M+K]+ 399.04766 190.7
[M-H]- 359.07722 183.4
[M+Na-2H]- 381.05917 184.3
[M]+ 360.08395 183.1
[M]- 360.08505 183.1
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