CID 5352001

Ermanin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI
InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
InChIKey
RJCJVIFSIXKSAH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

68
Patents

314.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 168.5
[M+Na]+ 337.06826 184.6
[M+NH4]+ 332.11286 175.5
[M+K]+ 353.04220 178.7
[M-H]- 313.07176 173.3
[M+Na-2H]- 335.05371 175.1
[M]+ 314.07849 172.3
[M]- 314.07959 172.3
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