CID 7023363

507472-06-2

Structural Information

Molecular Formula
C23H20N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CN=CC=C4
InChI
InChI=1S/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKey
IZXATJNDHWFETN-NRFANRHFSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 192.0
[M+Na]+ 411.13152 203.7
[M+NH4]+ 406.17612 198.5
[M+K]+ 427.10546 199.0
[M-H]- 387.13502 195.2
[M+Na-2H]- 409.11697 197.5
[M]+ 388.14175 194.3
[M]- 388.14285 194.3
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

No patent data available for this compound.