CID 5492310

Morelosin

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC
InChI
InChI=1S/C17H14O7/c1-22-10-3-8(4-11(7-10)23-2)17-16(21)15(20)14-12(19)5-9(18)6-13(14)24-17/h3-7,18-19,21H,1-2H3
InChIKey
HEJAFZFLVQINJF-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)-3,5,7-trihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.07394 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 171.1
[M+Na]+ 353.06316 182.0
[M-H]- 329.06666 177.4
[M+NH4]+ 348.10776 183.3
[M+K]+ 369.03710 180.1
[M+H-H2O]+ 313.07120 163.4
[M+HCOO]- 375.07214 189.9
[M+CH3COO]- 389.08779 205.3
[M+Na-2H]- 351.04861 175.5
[M]+ 330.07339 177.4
[M]- 330.07449 177.4
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

patents stripe