CID 3536714

2-(4-ethoxy-3-methoxyphenyl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C18H16O4
SMILES
CCOC1=C(C=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C18H16O4/c1-3-22-14-9-8-11(10-15(14)21-2)16-17(19)12-6-4-5-7-13(12)18(16)20/h4-10,16H,3H2,1-2H3
InChIKey
BWUXZMBQCCUWRX-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3-methoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 165.8
[M+Na]+ 319.094078 175.7
[M-H]- 295.097584 174.4
[M+NH4]+ 314.138683 184.5
[M+K]+ 335.068018 171.9
[M+H-H2O]+ 279.102120 159.0
[M+HCOO]- 341.103061 189.1
[M+CH3COO]- 355.118711 204.4
[M+Na-2H]- 317.079526 168.0
[M]+ 296.10431142 170.7
[M]- 296.10540858 170.7
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.