CID 330426

3'-(3,4-dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)

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 165.6
[M+Na]+ 319.09408 177.8
[M-H]- 295.09758 177.5
[M+NH4]+ 314.13868 180.4
[M+K]+ 335.06802 175.2
[M+H-H2O]+ 279.10212 159.5
[M+HCOO]- 341.10306 187.2
[M+CH3COO]- 355.11871 179.0
[M+Na-2H]- 317.07953 170.9
[M]+ 296.10431 173.5
[M]- 296.10541 173.5
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