CID 3309402

O-(2-aminoethyl)-o'-(2-azidoethyl)heptaethylene glycol

Structural Information

Molecular Formula
C18H38N4O8
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N
InChI
InChI=1S/C18H38N4O8/c19-1-3-23-5-7-25-9-11-27-13-15-29-17-18-30-16-14-28-12-10-26-8-6-24-4-2-21-22-20/h1-19H2
InChIKey
ZSFGTBJYBWJOLZ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

438.26895 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.27623 241.5
[M+Na]+ 461.25817 250.1
[M-H]- 437.26167 239.1
[M+NH4]+ 456.30277 243.6
[M+K]+ 477.23211 241.0
[M+H-H2O]+ 421.26621 232.7
[M+HCOO]- 483.26715 255.4
[M+CH3COO]- 497.28280 233.5
[M+Na-2H]- 459.24362 227.8
[M]+ 438.26840 232.3
[M]- 438.26950 232.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe