CID 4197118

27533-85-3

Structural Information

Molecular Formula
C21H16O3
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H16O3/c1-2-24-17-12-11-13-7-3-4-8-14(13)18(17)19-20(22)15-9-5-6-10-16(15)21(19)23/h3-12,19H,2H2,1H3
InChIKey
SUUSVNHRMVCSMB-UHFFFAOYSA-N
Compound name
2-(2-ethoxynaphthalen-1-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11723 173.3
[M+Na]+ 339.09917 189.3
[M+NH4]+ 334.14377 182.8
[M+K]+ 355.07311 181.8
[M-H]- 315.10267 178.8
[M+Na-2H]- 337.08462 180.5
[M]+ 316.10940 177.3
[M]- 316.11050 177.3
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.