CID 174772

Dtxsid20869035

Structural Information

Molecular Formula
C20H36N2O6
SMILES
CC(C)C1N(CCO1)CCOC(=O)CCC(=O)OCCN2CCOC2C(C)C
InChI
InChI=1S/C20H36N2O6/c1-15(2)19-21(9-13-27-19)7-11-25-17(23)5-6-18(24)26-12-8-22-10-14-28-20(22)16(3)4/h15-16,19-20H,5-14H2,1-4H3
InChIKey
BVIBOOQSAKCJIM-UHFFFAOYSA-N
Compound name
bis[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.25732 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.26460 201.5
[M+Na]+ 423.24654 202.0
[M-H]- 399.25004 205.0
[M+NH4]+ 418.29114 210.1
[M+K]+ 439.22048 203.9
[M+H-H2O]+ 383.25458 193.8
[M+HCOO]- 445.25552 212.7
[M+CH3COO]- 459.27117 222.2
[M+Na-2H]- 421.23199 193.7
[M]+ 400.25677 206.1
[M]- 400.25787 206.1
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.