CID 139022522

1029371-69-4

Structural Information

Molecular Formula
C20H18ClNO4
SMILES
C1[C@@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChI
InChI=1S/C20H18ClNO4/c21-12-9-18(19(23)24)22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,23,24)/t12-,18-/m0/s1
InChIKey
FMTZZERMZHVPFB-SGTLLEGYSA-N
Compound name
(2S,4S)-4-chloro-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.09244 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09972 187.4
[M+Na]+ 394.08166 195.2
[M-H]- 370.08516 193.5
[M+NH4]+ 389.12626 203.9
[M+K]+ 410.05560 189.3
[M+H-H2O]+ 354.08970 181.1
[M+HCOO]- 416.09064 199.6
[M+CH3COO]- 430.10629 197.4
[M+Na-2H]- 392.06711 184.8
[M]+ 371.09189 190.3
[M]- 371.09299 190.3
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.