CID 12302276

6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Structural Information

Molecular Formula
C17H20O10
SMILES
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3
InChIKey
IKUQEFGEUOOPGY-UHFFFAOYSA-N
Compound name
6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

481
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

literature stripe

Patent stripe

patents stripe