CID 213173

Brn 3072900

Structural Information

Molecular Formula
C17H30N2O8
SMILES
CCCC(C)(COC(=O)NCC(=O)OCC)COC(=O)NCC(=O)OCC
InChI
InChI=1S/C17H30N2O8/c1-5-8-17(4,11-26-15(22)18-9-13(20)24-6-2)12-27-16(23)19-10-14(21)25-7-3/h5-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKey
WIAYSCLLCNYUSL-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-[(2-ethoxy-2-oxoethyl)carbamoyloxymethyl]-2-methylpentoxy]carbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.20023 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20751 203.3
[M+Na]+ 413.18945 214.0
[M-H]- 389.19295 208.9
[M+NH4]+ 408.23405 212.2
[M+K]+ 429.16339 206.4
[M+H-H2O]+ 373.19749 183.9
[M+HCOO]- 435.19843 210.7
[M+CH3COO]- 449.21408 222.8
[M+Na-2H]- 411.17490 195.8
[M]+ 390.19968 201.7
[M]- 390.20078 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.