CID 7330527

Robustigenin

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-10-5-13(20)18-17(6-10)26-9-12(19(18)21)11-7-15(24-3)16(25-4)8-14(11)23-2/h5-9,20H,1-4H3
InChIKey
KCWRISNCTMEKEV-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 179.5
[M+Na]+ 381.09448 190.4
[M-H]- 357.09798 188.1
[M+NH4]+ 376.13908 192.0
[M+K]+ 397.06842 189.6
[M+H-H2O]+ 341.10252 170.8
[M+HCOO]- 403.10346 200.6
[M+CH3COO]- 417.11911 215.4
[M+Na-2H]- 379.07993 183.7
[M]+ 358.10471 189.9
[M]- 358.10581 189.9
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

No patent data available for this compound.