CID 45356727

Fmoc-(2s,3r)-3-phenylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CN([C@@H]([C@H]1C2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO4/c28-25(29)24-18(17-8-2-1-3-9-17)14-15-27(24)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16H2,(H,28,29)/t18-,24+/m1/s1
InChIKey
XZINBBVSLWSWBO-KOSHJBKYSA-N
Compound name
(2S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 199.9
[M+Na]+ 436.15194 212.4
[M+NH4]+ 431.19654 207.4
[M+K]+ 452.12588 208.7
[M-H]- 412.15544 204.8
[M+Na-2H]- 434.13739 205.2
[M]+ 413.16217 203.0
[M]- 413.16327 203.0
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.

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No patent data available for this compound.