CID 3240395

2-(2,4-dimethoxyphenyl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC(=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C17H14O4/c1-20-10-7-8-13(14(9-10)21-2)15-16(18)11-5-3-4-6-12(11)17(15)19/h3-9,15H,1-2H3
InChIKey
QAVWHDUAVOGFOQ-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.1
[M+Na]+ 305.078418 171.4
[M-H]- 281.081924 169.8
[M+NH4]+ 300.123023 180.3
[M+K]+ 321.052358 167.8
[M+H-H2O]+ 265.086460 154.5
[M+HCOO]- 327.087401 184.7
[M+CH3COO]- 341.103051 201.4
[M+Na-2H]- 303.063866 163.8
[M]+ 282.08865142 165.6
[M]- 282.08974858 165.6
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.