CID 18704336

144447-11-0

Structural Information

Molecular Formula
C20H22O5
SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCC3CO3
InChI
InChI=1S/C20H22O5/c1-22-16-9-11-18(12-10-16)25-20(21)15-5-7-17(8-6-15)23-13-3-2-4-19-14-24-19/h5-12,19H,2-4,13-14H2,1H3
InChIKey
GUVONCNNLQOJHV-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-[4-(oxiran-2-yl)butoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

342.14673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 182.2
[M+Na]+ 365.13595 197.0
[M+NH4]+ 360.18055 189.6
[M+K]+ 381.10989 191.3
[M-H]- 341.13945 194.7
[M+Na-2H]- 363.12140 192.0
[M]+ 342.14618 189.1
[M]- 342.14728 189.1
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

patents stripe