CID 131752724

5-hydroxy-6-methoxycoumarin 7-glucoside

Structural Information

Molecular Formula
C16H18O10
SMILES
COC1=C(C=C2C(=C1O)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3
InChIKey
PIBSIXYTETZFRB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09728 178.9
[M+Na]+ 393.07922 186.5
[M-H]- 369.08272 182.3
[M+NH4]+ 388.12382 186.4
[M+K]+ 409.05316 187.0
[M+H-H2O]+ 353.08726 171.3
[M+HCOO]- 415.08820 190.1
[M+CH3COO]- 429.10385 209.4
[M+Na-2H]- 391.06467 181.0
[M]+ 370.08945 182.8
[M]- 370.09055 182.8
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

No patent data available for this compound.