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]+ 297.11214 165.8
[M+Na]+ 319.09408 175.7
[M-H]- 295.09758 174.4
[M+NH4]+ 314.13868 184.5
[M+K]+ 335.06802 171.9
[M+H-H2O]+ 279.10212 159.0
[M+HCOO]- 341.10306 189.1
[M+CH3COO]- 355.11871 204.4
[M+Na-2H]- 317.07953 168.0
[M]+ 296.10431 170.7
[M]- 296.10541 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.