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]+ 430.16490 201.9
[M+Na]+ 452.14684 207.2
[M-H]- 428.15034 209.9
[M+NH4]+ 447.19144 213.8
[M+K]+ 468.12078 201.8
[M+H-H2O]+ 412.15488 193.9
[M+HCOO]- 474.15582 216.3
[M+CH3COO]- 488.17147 210.0
[M+Na-2H]- 450.13229 198.0
[M]+ 429.15707 201.9
[M]- 429.15817 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.