CID 117388

27325-78-6

Structural Information

Molecular Formula
C22H40N2O6
SMILES
CC(C)C1N(CCO1)CCOC(=O)CCCCC(=O)OCCN2CCOC2C(C)C
InChI
InChI=1S/C22H40N2O6/c1-17(2)21-23(11-15-29-21)9-13-27-19(25)7-5-6-8-20(26)28-14-10-24-12-16-30-22(24)18(3)4/h17-18,21-22H,5-16H2,1-4H3
InChIKey
BIRCERFPGAAFFQ-UHFFFAOYSA-N
Compound name
bis[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

428.28864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.29592 206.2
[M+Na]+ 451.27786 209.6
[M+NH4]+ 446.32246 208.2
[M+K]+ 467.25180 211.6
[M-H]- 427.28136 206.0
[M+Na-2H]- 449.26331 202.2
[M]+ 428.28809 205.9
[M]- 428.28919 205.9
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

patents stripe