CID 92037252

1516571-16-6

Structural Information

Molecular Formula
C34H62N4O10
SMILES
C=COCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCOC(=O)NCCCCCCNC(=O)OCCCCOC=C
InChI
InChI=1S/C34H62N4O10/c1-3-43-25-17-19-29-47-33(41)37-23-13-7-5-11-21-35-31(39)45-27-15-9-10-16-28-46-32(40)36-22-12-6-8-14-24-38-34(42)48-30-20-18-26-44-4-2/h3-4H,1-2,5-30H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
InChIKey
HYUMTLCJAKNRKM-UHFFFAOYSA-N
Compound name
6-[6-(4-ethenoxybutoxycarbonylamino)hexylcarbamoyloxy]hexyl N-[6-(4-ethenoxybutoxycarbonylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

686.4466 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.45388 280.6
[M+Na]+ 709.43582 290.5
[M-H]- 685.43932 284.2
[M+NH4]+ 704.48042 287.5
[M+K]+ 725.40976 285.4
[M+H-H2O]+ 669.44386 279.3
[M+HCOO]- 731.44480 277.4
[M+CH3COO]- 745.46045 282.2
[M+Na-2H]- 707.42127 264.2
[M]+ 686.44605 272.6
[M]- 686.44715 272.6
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.