CID 75535016

Fmoc-n-amido-peg16-acid

Structural Information

Molecular Formula
C50H81NO20
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C50H81NO20/c52-49(53)9-11-55-13-15-57-17-19-59-21-23-61-25-27-63-29-31-65-33-35-67-37-39-69-41-42-70-40-38-68-36-34-66-32-30-64-28-26-62-24-22-60-20-18-58-16-14-56-12-10-51-50(54)71-43-48-46-7-3-1-5-44(46)45-6-2-4-8-47(45)48/h1-8,48H,9-43H2,(H,51,54)(H,52,53)
InChIKey
SNFUPBLFEUWDAY-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1015.5352 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1016.542476 328.8
[M+Na]+ 1038.524418 330.2
[M-H]- 1014.527924 322.9
[M+NH4]+ 1033.569023 339.9
[M+K]+ 1054.498358 325.3
[M+H-H2O]+ 998.532460 331.6
[M+HCOO]- 1060.533401 337.6
[M+CH3COO]- 1074.549051 318.7
[M+Na-2H]- 1036.509866 304.1
[M]+ 1015.53465142 336.0
[M]- 1015.53574858 336.0
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.