CID 170050

38444-15-4

Structural Information

Molecular Formula
C24H32O3
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC
InChI
InChI=1S/C24H32O3/c1-3-5-7-9-19-26-22-17-13-21(14-18-22)24(25)27-23-15-11-20(12-16-23)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3
InChIKey
IRMSQSDYVDQMKE-UHFFFAOYSA-N
Compound name
(4-pentylphenyl) 4-hexoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

368.23514 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24242 194.5
[M+Na]+ 391.22436 207.4
[M+NH4]+ 386.26896 201.3
[M+K]+ 407.19830 197.9
[M-H]- 367.22786 198.4
[M+Na-2H]- 389.20981 201.3
[M]+ 368.23459 197.5
[M]- 368.23569 197.5
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