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

10
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 180.9
[M+Na]+ 362.13628 186.2
[M-H]- 338.13978 185.8
[M+NH4]+ 357.18088 197.6
[M+K]+ 378.11022 183.2
[M+H-H2O]+ 322.14432 173.7
[M+HCOO]- 384.14526 201.1
[M+CH3COO]- 398.16091 214.4
[M+Na-2H]- 360.12173 182.5
[M]+ 339.14651 185.1
[M]- 339.14761 185.1
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