CID 174771

89911-09-1

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 202.0
[M+Na]+ 437.26220 205.6
[M+NH4]+ 432.30680 204.1
[M+K]+ 453.23614 207.8
[M-H]- 413.26570 201.8
[M+Na-2H]- 435.24765 198.3
[M]+ 414.27243 201.7
[M]- 414.27353 201.7
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

No patent data available for this compound.