CID 165805643

Rac-(3r,4s)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

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]+ 430.164896 201.9
[M+Na]+ 452.146838 207.2
[M-H]- 428.150344 209.9
[M+NH4]+ 447.191443 213.8
[M+K]+ 468.120778 201.8
[M+H-H2O]+ 412.154880 193.9
[M+HCOO]- 474.155821 216.3
[M+CH3COO]- 488.171471 210.0
[M+Na-2H]- 450.132286 198.0
[M]+ 429.15707142 201.9
[M]- 429.15816858 201.9
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.