CID 165805643

2227726-17-0

Structural Information

Molecular Formula
C26H23NO5
SMILES
C1[C@H]([C@@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C5=CC(=CC=C5)O
InChI
InChI=1S/C26H23NO5/c28-17-7-5-6-16(12-17)22-13-27(14-23(22)25(29)30)26(31)32-15-24-20-10-3-1-8-18(20)19-9-2-4-11-21(19)24/h1-12,22-24,28H,13-15H2,(H,29,30)/t22-,23+/m0/s1
InChIKey
BVTBECYFLZPTAZ-XZOQPEGZSA-N
Compound name
(3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.15762 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.16490 203.1
[M+Na]+ 452.14684 214.8
[M+NH4]+ 447.19144 209.6
[M+K]+ 468.12078 212.2
[M-H]- 428.15034 207.0
[M+Na-2H]- 450.13229 207.1
[M]+ 429.15707 205.6
[M]- 429.15817 205.6
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.