CID 1377878

2-(2,3,5,6-tetramethylbenzylidene)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C20H18O2
SMILES
CC1=CC(=C(C(=C1C)C=C2C(=O)C3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C20H18O2/c1-11-9-12(2)14(4)17(13(11)3)10-18-19(21)15-7-5-6-8-16(15)20(18)22/h5-10H,1-4H3
InChIKey
CEPNGEFIYRTBKA-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethylphenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.6
[M+Na]+ 313.11990 184.2
[M+NH4]+ 308.16450 177.3
[M+K]+ 329.09384 177.2
[M-H]- 289.12340 173.3
[M+Na-2H]- 311.10535 174.7
[M]+ 290.13013 172.3
[M]- 290.13123 172.3
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.