CID 74892115

1361197-86-5

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1[C@@H]([C@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C5=CC=CC=C5
InChI
InChI=1S/C26H23NO4/c28-25(29)23-15-27(14-22(23)17-8-2-1-3-9-17)26(30)31-16-24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)24/h1-13,22-24H,14-16H2,(H,28,29)/t22-,23+/m1/s1
InChIKey
GHKDFAVPKIFJQB-PKTZIBPZSA-N
Compound name
(3R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

413.16272 Da
Monoisotopic Mass

4.3
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.

Patent stripe

No patent data available for this compound.