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]+ 1016.5425 328.8
[M+Na]+ 1038.5244 330.2
[M-H]- 1014.5279 322.9
[M+NH4]+ 1033.5690 339.9
[M+K]+ 1054.4984 325.3
[M+H-H2O]+ 998.53246 331.6
[M+HCOO]- 1060.5334 337.6
[M+CH3COO]- 1074.5491 318.7
[M+Na-2H]- 1036.5099 304.1
[M]+ 1015.5347 336.0
[M]- 1015.5357 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.