CID 3061859

79874-85-4

Structural Information

Molecular Formula
C26H30N2O8
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=CC=C3OC(=O)C
InChI
InChI=1S/C26H30N2O8/c1-19(29)35-23-9-5-3-7-21(23)25(31)33-17-15-27-11-13-28(14-12-27)16-18-34-26(32)22-8-4-6-10-24(22)36-20(2)30/h3-10H,11-18H2,1-2H3
InChIKey
BJSDZTFKAMAMKC-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-acetyloxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

498.20023 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.20751 214.7
[M+Na]+ 521.18945 223.6
[M+NH4]+ 516.23405 216.3
[M+K]+ 537.16339 220.2
[M-H]- 497.19295 215.4
[M+Na-2H]- 519.17490 218.3
[M]+ 498.19968 215.5
[M]- 498.20078 215.5
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