CID 44260069

Melinervin

Structural Information

Molecular Formula
C18H14O9
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)O)OC)O
InChI
InChI=1S/C18H14O9/c1-23-17-12(20)10-11(19)13(21)15(27-16(10)18(24-2)14(17)22)7-3-4-8-9(5-7)26-6-25-8/h3-5,20-22H,6H2,1-2H3
InChIKey
UTYCJCKEEFUSMZ-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07106 180.2
[M+Na]+ 397.05300 191.4
[M-H]- 373.05650 189.1
[M+NH4]+ 392.09760 190.7
[M+K]+ 413.02694 192.3
[M+H-H2O]+ 357.06104 174.0
[M+HCOO]- 419.06198 196.0
[M+CH3COO]- 433.07763 214.0
[M+Na-2H]- 395.03845 184.5
[M]+ 374.06323 189.8
[M]- 374.06433 189.8
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.