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]+ 313.07068 165.9
[M+Na]+ 335.05262 177.0
[M-H]- 311.05612 176.5
[M+NH4]+ 330.09722 180.0
[M+K]+ 351.02656 176.9
[M+H-H2O]+ 295.06066 159.6
[M+HCOO]- 357.06160 184.9
[M+CH3COO]- 371.07725 179.3
[M+Na-2H]- 333.03807 172.8
[M]+ 312.06285 172.9
[M]- 312.06395 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.