CID 155819327

2138228-46-1

Structural Information

Molecular Formula
C26H22FNO4
SMILES
C1C[C@H](N([C@@H]1C2=CC=C(C=C2)F)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C26H22FNO4/c27-17-11-9-16(10-12-17)23-13-14-24(25(29)30)28(23)26(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-24H,13-15H2,(H,29,30)/t23-,24-/m0/s1
InChIKey
QKOQHHGBOIRSFD-ZEQRLZLVSA-N
Compound name
(2S,5S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-(4-fluorophenyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1533 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16058 203.3
[M+Na]+ 454.14252 209.4
[M-H]- 430.14602 211.2
[M+NH4]+ 449.18712 215.8
[M+K]+ 470.11646 203.3
[M+H-H2O]+ 414.15056 194.0
[M+HCOO]- 476.15150 218.0
[M+CH3COO]- 490.16715 211.6
[M+Na-2H]- 452.12797 198.7
[M]+ 431.15275 202.6
[M]- 431.15385 202.6
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.