CID 139026894

2361608-65-1

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1C[C@H](N(C[C@@H]1F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H20FNO4/c22-13-9-10-19(20(24)25)23(11-13)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,24,25)/t13-,19+/m1/s1
InChIKey
AUQPWZCUOUNEAQ-YJYMSZOUSA-N
Compound name
(2S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-fluoropiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 186.0
[M+Na]+ 392.12685 191.6
[M-H]- 368.13035 189.8
[M+NH4]+ 387.17145 199.5
[M+K]+ 408.10079 186.5
[M+H-H2O]+ 352.13489 176.8
[M+HCOO]- 414.13583 198.9
[M+CH3COO]- 428.15148 214.2
[M+Na-2H]- 390.11230 184.6
[M]+ 369.13708 183.4
[M]- 369.13818 183.4
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

No patent data available for this compound.