CID 137943113

2744318-38-3

Structural Information

Molecular Formula
C22H20F3NO4
SMILES
C1[C@H]([C@@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)CC(F)(F)F
InChI
InChI=1S/C22H20F3NO4/c23-22(24,25)9-13-10-26(11-18(13)20(27)28)21(29)30-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,13,18-19H,9-12H2,(H,27,28)/t13-,18-/m1/s1
InChIKey
GWUGKULITGGZTR-FZKQIMNGSA-N
Compound name
(3S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.13443 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14171 198.0
[M+Na]+ 442.12365 204.6
[M-H]- 418.12715 200.2
[M+NH4]+ 437.16825 211.6
[M+K]+ 458.09759 199.2
[M+H-H2O]+ 402.13169 189.0
[M+HCOO]- 464.13263 209.3
[M+CH3COO]- 478.14828 221.6
[M+Na-2H]- 440.10910 194.5
[M]+ 419.13388 195.7
[M]- 419.13498 195.7
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.