CID 137952292

2219353-62-3

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1[C@@H](CN([C@@H]1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F
InChI
InChI=1S/C21H20FNO4/c22-13-9-14(10-20(24)25)23(11-13)21(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,24,25)/t13-,14-/m0/s1
InChIKey
AEARWYJCPQCILX-KBPBESRZSA-N
Compound name
2-[(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 187.1
[M+Na]+ 392.12685 193.6
[M-H]- 368.13035 191.8
[M+NH4]+ 387.17145 202.7
[M+K]+ 408.10079 188.6
[M+H-H2O]+ 352.13489 179.2
[M+HCOO]- 414.13583 202.4
[M+CH3COO]- 428.15148 213.6
[M+Na-2H]- 390.11230 183.9
[M]+ 369.13708 187.0
[M]- 369.13818 187.0
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

No patent data available for this compound.