CID 5222388

27721-87-5

Structural Information

Molecular Formula
C20H14O3
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H14O3/c1-23-16-11-10-12-6-2-3-7-13(12)17(16)18-19(21)14-8-4-5-9-15(14)20(18)22/h2-11,18H,1H3
InChIKey
XCSKQSIJWDUPPR-UHFFFAOYSA-N
Compound name
2-(2-methoxynaphthalen-1-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10158 168.4
[M+Na]+ 325.08352 178.8
[M-H]- 301.08702 177.8
[M+NH4]+ 320.12812 187.5
[M+K]+ 341.05746 173.2
[M+H-H2O]+ 285.09156 161.0
[M+HCOO]- 347.09250 190.4
[M+CH3COO]- 361.10815 181.4
[M+Na-2H]- 323.06897 171.9
[M]+ 302.09375 171.1
[M]- 302.09485 171.1
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.