CID 21998587

172965-67-2

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCN(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-2-21(12-11-19(22)23)20(24)25-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18H,2,11-13H2,1H3,(H,22,23)
InChIKey
AREQXKGLQHHFSL-UHFFFAOYSA-N
Compound name
3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.9
[M+Na]+ 362.13628 190.0
[M+NH4]+ 357.18088 186.8
[M+K]+ 378.11022 185.8
[M-H]- 338.13978 181.5
[M+Na-2H]- 360.12173 183.0
[M]+ 339.14651 181.5
[M]- 339.14761 181.5
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