CID 2756186

557756-85-1

Structural Information

Molecular Formula
C26H33NO8
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C26H33NO8/c28-25(29)9-11-31-13-15-33-17-18-34-16-14-32-12-10-27-26(30)35-19-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,27,30)(H,28,29)
InChIKey
NUHRPLKTAAVHCZ-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

487.2206 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.22788 214.6
[M+Na]+ 510.20982 215.7
[M-H]- 486.21332 216.4
[M+NH4]+ 505.25442 223.7
[M+K]+ 526.18376 213.5
[M+H-H2O]+ 470.21786 205.4
[M+HCOO]- 532.21880 232.7
[M+CH3COO]- 546.23445 237.2
[M+Na-2H]- 508.19527 215.2
[M]+ 487.22005 225.1
[M]- 487.22115 225.1
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