CID 53433575

756526-06-4

Structural Information

Molecular Formula
C23H47NO10
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C23H47NO10/c1-23(2,3)34-22(25)4-6-26-8-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-27-7-5-24/h4-21,24H2,1-3H3
InChIKey
UMJVFHNJPJVDSB-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

497.32 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.32728 227.5
[M+Na]+ 520.30922 231.6
[M-H]- 496.31272 222.4
[M+NH4]+ 515.35382 231.8
[M+K]+ 536.28316 226.8
[M+H-H2O]+ 480.31726 226.6
[M+HCOO]- 542.31820 238.2
[M+CH3COO]- 556.33385 240.5
[M+Na-2H]- 518.29467 213.6
[M]+ 497.31945 227.7
[M]- 497.32055 227.7
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