CID 3505337

4-(hexyloxy)phenyl 4-(allyloxy)benzoate

Structural Information

Molecular Formula
C22H26O4
SMILES
CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C22H26O4/c1-3-5-6-7-17-25-20-12-14-21(15-13-20)26-22(23)18-8-10-19(11-9-18)24-16-4-2/h4,8-15H,2-3,5-7,16-17H2,1H3
InChIKey
CQAGCDLZFGJYEI-UHFFFAOYSA-N
Compound name
(4-hexoxyphenyl) 4-prop-2-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

354.1831 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 187.3
[M+Na]+ 377.17232 192.2
[M-H]- 353.17582 193.0
[M+NH4]+ 372.21692 199.9
[M+K]+ 393.14626 188.2
[M+H-H2O]+ 337.18036 178.1
[M+HCOO]- 399.18130 209.1
[M+CH3COO]- 413.19695 214.8
[M+Na-2H]- 375.15777 188.4
[M]+ 354.18255 193.5
[M]- 354.18365 193.5
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