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]+ 283.09648 161.1
[M+Na]+ 305.07842 171.4
[M-H]- 281.08192 169.8
[M+NH4]+ 300.12302 180.3
[M+K]+ 321.05236 167.8
[M+H-H2O]+ 265.08646 154.5
[M+HCOO]- 327.08740 184.7
[M+CH3COO]- 341.10305 201.4
[M+Na-2H]- 303.06387 163.8
[M]+ 282.08865 165.6
[M]- 282.08975 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.