CID 3019051

82350-07-0

Structural Information

Molecular Formula
C26H26O4
SMILES
CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC
InChI
InChI=1S/C26H26O4/c1-3-5-19-7-11-21(12-8-19)25(27)30-24-17-13-22(14-18-24)26(28)29-23-15-9-20(6-4-2)10-16-23/h7-18H,3-6H2,1-2H3
InChIKey
OLSLCYYEGDARJR-UHFFFAOYSA-N
Compound name
[4-(4-propylphenoxy)carbonylphenyl] 4-propylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

402.1831 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19038 200.3
[M+Na]+ 425.17232 205.2
[M-H]- 401.17582 209.2
[M+NH4]+ 420.21692 210.4
[M+K]+ 441.14626 200.6
[M+H-H2O]+ 385.18036 189.7
[M+HCOO]- 447.18130 220.8
[M+CH3COO]- 461.19695 224.1
[M+Na-2H]- 423.15777 199.6
[M]+ 402.18255 204.5
[M]- 402.18365 204.5
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