CID 103665280

2642729-48-2

Structural Information

Molecular Formula
C21H23NO4
SMILES
CCCN(C(C)C(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-3-12-22(14(2)20(23)24)21(25)26-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19H,3,12-13H2,1-2H3,(H,23,24)
InChIKey
SFAVYUWUHCWHFJ-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

353.16272 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.8
[M+Na]+ 376.15194 190.3
[M-H]- 352.15544 190.5
[M+NH4]+ 371.19654 201.8
[M+K]+ 392.12588 187.8
[M+H-H2O]+ 336.15998 178.6
[M+HCOO]- 398.16092 204.7
[M+CH3COO]- 412.17657 218.3
[M+Na-2H]- 374.13739 185.8
[M]+ 353.16217 189.8
[M]- 353.16327 189.8
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