CID 73981752

6,7-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Structural Information

Molecular Formula
C17H20O10
SMILES
COC1=C(C(=C2C=CC(=O)OC2=C1)OC3C(C(C(C(O3)CO)O)O)O)OC
InChI
InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3
InChIKey
DHNNEMKGTXETQO-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.10565 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11293 182.7
[M+Na]+ 407.09487 190.3
[M-H]- 383.09837 187.3
[M+NH4]+ 402.13947 190.4
[M+K]+ 423.06881 191.4
[M+H-H2O]+ 367.10291 174.7
[M+HCOO]- 429.10385 195.1
[M+CH3COO]- 443.11950 214.1
[M+Na-2H]- 405.08032 184.8
[M]+ 384.10510 188.6
[M]- 384.10620 188.6
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.