CID 310608

2-(3,4-dimethoxy-phenyl)-indan-1,3-dione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
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

patents stripe