CID 14018711

Maximaisoflavone e

Structural Information

Molecular Formula
C17H12O6
SMILES
COC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCO4)O
InChI
InChI=1S/C17H12O6/c1-20-17-12(18)4-3-10-15(19)11(7-21-16(10)17)9-2-5-13-14(6-9)23-8-22-13/h2-7,18H,8H2,1H3
InChIKey
JNTVQHNRKNXQPA-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.070676 165.9
[M+Na]+ 335.052618 177.0
[M-H]- 311.056124 176.5
[M+NH4]+ 330.097223 180.0
[M+K]+ 351.026558 176.9
[M+H-H2O]+ 295.060660 159.6
[M+HCOO]- 357.061601 184.9
[M+CH3COO]- 371.077251 179.3
[M+Na-2H]- 333.038066 172.8
[M]+ 312.06285142 172.9
[M]- 312.06394858 172.9
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.