CID 115820

64240-65-9

Structural Information

Molecular Formula
C25H32O5
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)CC
InChI
InChI=1S/C25H32O5/c1-4-6-7-8-17-28-22-13-9-21(10-14-22)25(27)30-23-15-11-20(12-16-23)24(26)29-18-19(3)5-2/h9-16,19H,4-8,17-18H2,1-3H3
InChIKey
PFFXLOXLWSVOSP-UHFFFAOYSA-N
Compound name
[4-(2-methylbutoxycarbonyl)phenyl] 4-hexoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

412.22498 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23226 202.4
[M+Na]+ 435.21420 213.5
[M+NH4]+ 430.25880 207.4
[M+K]+ 451.18814 206.5
[M-H]- 411.21770 204.6
[M+Na-2H]- 433.19965 207.4
[M]+ 412.22443 204.4
[M]- 412.22553 204.4
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