CID 578675

33926-46-4

Structural Information

Molecular Formula
C21H24O6
SMILES
CCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC
InChI
InChI=1S/C21H24O6/c1-3-5-6-15-25-21(23)27-19-9-7-16(8-10-19)20(22)26-18-13-11-17(12-14-18)24-4-2/h7-14H,3-6,15H2,1-2H3
InChIKey
QVUSHDHMLLZBDM-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl) 4-pentoxycarbonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

372.1573 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 188.8
[M+Na]+ 395.14652 193.6
[M-H]- 371.15002 194.7
[M+NH4]+ 390.19112 200.4
[M+K]+ 411.12046 191.9
[M+H-H2O]+ 355.15456 179.4
[M+HCOO]- 417.15550 210.3
[M+CH3COO]- 431.17115 215.6
[M+Na-2H]- 393.13197 189.4
[M]+ 372.15675 196.7
[M]- 372.15785 196.7
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