CID 626284

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

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C18H14O4/c1-21-15-8-7-11(10-16(15)22-2)9-14-17(19)12-5-3-4-6-13(12)18(14)20/h3-10H,1-2H3
InChIKey
OVHSLRSKIAKFOH-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

294.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 166.4
[M+Na]+ 317.07842 180.7
[M+NH4]+ 312.12302 174.3
[M+K]+ 333.05236 174.9
[M-H]- 293.08192 170.1
[M+Na-2H]- 315.06387 172.5
[M]+ 294.08865 169.4
[M]- 294.08975 169.4
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