CID 3055009

Brn 5606840

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)OC)OC
InChI
InChI=1S/C18H16O6/c1-22-13-9-8-12(14(23-2)15(13)24-3)18(21)16(19)10-6-4-5-7-11(10)17(18)20/h4-9,21H,1-3H3
InChIKey
DGDRNAUFVWMDDC-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2,3,4-trimethoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 170.3
[M+Na]+ 351.083918 181.2
[M-H]- 327.087424 178.2
[M+NH4]+ 346.128523 189.1
[M+K]+ 367.057858 178.3
[M+H-H2O]+ 311.091960 164.3
[M+HCOO]- 373.092901 192.4
[M+CH3COO]- 387.108551 207.3
[M+Na-2H]- 349.069366 173.2
[M]+ 328.09415142 177.2
[M]- 328.09524858 177.2
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.