CID 3410067

54689-89-3

Structural Information

Molecular Formula
C20H18O2
SMILES
CC1=CC(=C(C(=C1C)C)C)C=C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H18O2/c1-11-9-15(14(4)13(3)12(11)2)10-18-19(21)16-7-5-6-8-17(16)20(18)22/h5-10H,1-4H3
InChIKey
ZOADEGWIGWOJKM-UHFFFAOYSA-N
Compound name
2-[(2,3,4,5-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 166.2
[M+Na]+ 313.11990 177.8
[M-H]- 289.12340 175.3
[M+NH4]+ 308.16450 185.9
[M+K]+ 329.09384 171.6
[M+H-H2O]+ 273.12794 160.1
[M+HCOO]- 335.12888 188.6
[M+CH3COO]- 349.14453 207.2
[M+Na-2H]- 311.10535 165.8
[M]+ 290.13013 169.0
[M]- 290.13123 169.0
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.