CID 14993651

140921-24-0

Structural Information

Molecular Formula
C32H62N4O6
SMILES
CCCCC(CC)C1N(CCO1)CCOC(=O)NCCCCCCNC(=O)OCCN2CCOC2C(CC)CCCC
InChI
InChI=1S/C32H62N4O6/c1-5-9-15-27(7-3)29-35(19-23-39-29)21-25-41-31(37)33-17-13-11-12-14-18-34-32(38)42-26-22-36-20-24-40-30(36)28(8-4)16-10-6-2/h27-30H,5-26H2,1-4H3,(H,33,37)(H,34,38)
InChIKey
GLHIIWCTJKBGGM-UHFFFAOYSA-N
Compound name
2-(2-heptan-3-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[2-(2-heptan-3-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

598.4669 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.47418 255.7
[M+Na]+ 621.45612 254.4
[M+NH4]+ 616.50072 254.8
[M+K]+ 637.43006 255.0
[M-H]- 597.45962 255.5
[M+Na-2H]- 619.44157 248.9
[M]+ 598.46635 254.4
[M]- 598.46745 254.4
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