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

18
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 178.3
[M+Na]+ 365.13595 185.8
[M-H]- 341.13945 188.9
[M+NH4]+ 360.18055 185.6
[M+K]+ 381.10989 183.9
[M+H-H2O]+ 325.14399 169.2
[M+HCOO]- 387.14493 200.4
[M+CH3COO]- 401.16058 212.4
[M+Na-2H]- 363.12140 182.0
[M]+ 342.14618 187.4
[M]- 342.14728 187.4
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