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

425
Patents

388.1423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.149576 190.6
[M+Na]+ 411.131518 195.1
[M-H]- 387.135024 196.0
[M+NH4]+ 406.176123 202.5
[M+K]+ 427.105458 190.4
[M+H-H2O]+ 371.139560 181.4
[M+HCOO]- 433.140501 208.3
[M+CH3COO]- 447.156151 219.9
[M+Na-2H]- 409.116966 192.9
[M]+ 388.14175142 192.0
[M]- 388.14284858 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