CID 57638735

1654740-73-4

Structural Information

Molecular Formula
C20H21NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCC(=O)O
InChI
InChI=1S/C20H21NO5/c22-19(23)9-11-25-12-10-21-20(24)26-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,21,24)(H,22,23)
InChIKey
LHBCOPWWQKLECJ-UHFFFAOYSA-N
Compound name
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

355.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.149246 182.3
[M+Na]+ 378.131188 187.3
[M-H]- 354.134694 185.7
[M+NH4]+ 373.175793 197.6
[M+K]+ 394.105128 183.7
[M+H-H2O]+ 338.139230 175.0
[M+HCOO]- 400.140171 202.3
[M+CH3COO]- 414.155821 213.4
[M+Na-2H]- 376.116636 185.1
[M]+ 355.14142142 186.8
[M]- 355.14251858 186.8
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