CID 14427372

12a-hydroxymunduserone

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC2=C(C=C1)C(=O)C3(C(O2)COC4=CC(=C(C=C43)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3
InChIKey
APAWOEBSLLGWDF-UHFFFAOYSA-N
Compound name
12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.112536 178.1
[M+Na]+ 381.094478 187.7
[M-H]- 357.097984 184.8
[M+NH4]+ 376.139083 192.8
[M+K]+ 397.068418 187.8
[M+H-H2O]+ 341.102520 169.9
[M+HCOO]- 403.103461 191.8
[M+CH3COO]- 417.119111 215.1
[M+Na-2H]- 379.079926 185.9
[M]+ 358.10471142 184.9
[M]- 358.10580858 184.9
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.