CID 24072

8n8yhf27fl

Structural Information

Molecular Formula
C28H34O9
SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCOC(=O)C2=CC=CC=C2C(=O)OCCCC
InChI
InChI=1S/C28H34O9/c1-3-5-15-34-25(29)21-11-7-9-13-23(21)27(31)36-19-17-33-18-20-37-28(32)24-14-10-8-12-22(24)26(30)35-16-6-4-2/h7-14H,3-6,15-20H2,1-2H3
InChIKey
QOHGWJJKTCUFDB-UHFFFAOYSA-N
Compound name
2-O-[2-[2-(2-butoxycarbonylbenzoyl)oxyethoxy]ethyl] 1-O-butyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2203 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.22758 221.7
[M+Na]+ 537.20952 229.8
[M+NH4]+ 532.25412 223.0
[M+K]+ 553.18346 225.3
[M-H]- 513.21302 221.0
[M+Na-2H]- 535.19497 223.8
[M]+ 514.21975 222.1
[M]- 514.22085 222.1
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

No patent data available for this compound.