CID 330426

54714-66-8

Structural Information

Molecular Formula
C18H16O4
SMILES
COC1=C(C=C(C=C1)C2C3(O2)CC4=CC=CC=C4C3=O)OC
InChI
InChI=1S/C18H16O4/c1-20-14-8-7-11(9-15(14)21-2)17-18(22-17)10-12-5-3-4-6-13(12)16(18)19/h3-9,17H,10H2,1-2H3
InChIKey
JCENLDBODYOIBO-UHFFFAOYSA-N
Compound name
3'-(3,4-dimethoxyphenyl)spiro[3H-indene-2,2'-oxirane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 169.4
[M+Na]+ 319.09408 185.6
[M+NH4]+ 314.13868 180.3
[M+K]+ 335.06802 179.4
[M-H]- 295.09758 182.7
[M+Na-2H]- 317.07953 179.7
[M]+ 296.10431 177.0
[M]- 296.10541 177.0
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

patents stripe