CID 2734472

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C23H20N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CN=CC=C4)C(=O)O
InChI
InChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)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-/m1/s1
InChIKey
JQLPMTXRCLXOJO-OAQYLSRUSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

388.1423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 190.6
[M+Na]+ 411.13152 195.1
[M-H]- 387.13502 196.0
[M+NH4]+ 406.17612 202.5
[M+K]+ 427.10546 190.4
[M+H-H2O]+ 371.13956 181.4
[M+HCOO]- 433.14050 208.3
[M+CH3COO]- 447.15615 219.9
[M+Na-2H]- 409.11697 192.9
[M]+ 388.14175 192.0
[M]- 388.14285 192.0
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