CID 3085892

72928-56-4

Structural Information

Molecular Formula
C30H34O5
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC
InChI
InChI=1S/C30H34O5/c1-3-5-7-8-22-33-26-18-12-24(13-19-26)29(31)35-28-20-14-25(15-21-28)30(32)34-27-16-10-23(11-17-27)9-6-4-2/h10-21H,3-9,22H2,1-2H3
InChIKey
DVZYCDSTDIGEFM-UHFFFAOYSA-N
Compound name
[4-(4-butylphenoxy)carbonylphenyl] 4-hexoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

474.24063 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.24791 220.4
[M+Na]+ 497.22985 234.0
[M+NH4]+ 492.27445 225.8
[M+K]+ 513.20379 224.7
[M-H]- 473.23335 225.6
[M+Na-2H]- 495.21530 228.2
[M]+ 474.24008 223.8
[M]- 474.24118 223.8
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