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 210.5
[M+Na]+ 451.27786 210.1
[M-H]- 427.28136 213.6
[M+NH4]+ 446.32246 217.9
[M+K]+ 467.25180 211.5
[M+H-H2O]+ 411.28590 202.5
[M+HCOO]- 473.28684 221.0
[M+CH3COO]- 487.30249 227.9
[M+Na-2H]- 449.26331 201.6
[M]+ 428.28809 215.7
[M]- 428.28919 215.7
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

patents stripe