CID 22088308

558467-39-3

Structural Information

Molecular Formula
C24H28O5
SMILES
CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCOC(=O)C=C
InChI
InChI=1S/C24H28O5/c1-3-19-9-13-22(14-10-19)29-24(26)20-11-15-21(16-12-20)27-17-7-5-6-8-18-28-23(25)4-2/h4,9-16H,2-3,5-8,17-18H2,1H3
InChIKey
ZBUSNVSMNNRMRQ-UHFFFAOYSA-N
Compound name
(4-ethylphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

396.19366 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.200936 198.3
[M+Na]+ 419.182878 202.2
[M-H]- 395.186384 203.6
[M+NH4]+ 414.227483 208.8
[M+K]+ 435.156818 198.4
[M+H-H2O]+ 379.190920 188.6
[M+HCOO]- 441.191861 218.7
[M+CH3COO]- 455.207511 222.2
[M+Na-2H]- 417.168326 197.2
[M]+ 396.19311142 205.1
[M]- 396.19420858 205.1
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