CID 174771

Dtxsid60869034

Structural Information

Molecular Formula
C21H38N2O6
SMILES
CC(C)C1N(CCO1)CCOC(=O)CCCC(=O)OCCN2CCOC2C(C)C
InChI
InChI=1S/C21H38N2O6/c1-16(2)20-22(10-14-28-20)8-12-26-18(24)6-5-7-19(25)27-13-9-23-11-15-29-21(23)17(3)4/h16-17,20-21H,5-15H2,1-4H3
InChIKey
VMAJEOQYHYVUNT-UHFFFAOYSA-N
Compound name
bis[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl] pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.27298 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.28026 206.0
[M+Na]+ 437.26220 206.1
[M-H]- 413.26570 209.3
[M+NH4]+ 432.30680 214.0
[M+K]+ 453.23614 207.7
[M+H-H2O]+ 397.27024 198.2
[M+HCOO]- 459.27118 216.9
[M+CH3COO]- 473.28683 225.1
[M+Na-2H]- 435.24765 197.7
[M]+ 414.27243 210.9
[M]- 414.27353 210.9
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.