CID 15485625

218926-46-6

Structural Information

Molecular Formula
C21H23NO4
SMILES
CCC(CC)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-3-21(4-2,19(23)24)22-20(25)26-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
NUABWLRFIOIRJG-UHFFFAOYSA-N
Compound name
2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

353.16272 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.169996 185.4
[M+Na]+ 376.151938 190.5
[M-H]- 352.155444 188.9
[M+NH4]+ 371.196543 201.0
[M+K]+ 392.125878 186.7
[M+H-H2O]+ 336.159980 178.9
[M+HCOO]- 398.160921 203.2
[M+CH3COO]- 412.176571 214.6
[M+Na-2H]- 374.137386 188.5
[M]+ 353.16217142 188.4
[M]- 353.16326858 188.4
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