CID 132353796

2127056-95-3

Structural Information

Molecular Formula
C26H22ClNO4
SMILES
C1[C@H]([C@@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H22ClNO4/c27-17-11-9-16(10-12-17)22-13-28(14-23(22)25(29)30)26(31)32-15-24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-12,22-24H,13-15H2,(H,29,30)/t22-,23+/m0/s1
InChIKey
ZIPYEAFCQQVOGF-XZOQPEGZSA-N
Compound name
(3S,4R)-4-(4-chlorophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12375 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13103 208.2
[M+Na]+ 470.11297 215.2
[M-H]- 446.11647 217.3
[M+NH4]+ 465.15757 221.1
[M+K]+ 486.08691 208.2
[M+H-H2O]+ 430.12101 200.2
[M+HCOO]- 492.12195 219.4
[M+CH3COO]- 506.13760 216.7
[M+Na-2H]- 468.09842 203.7
[M]+ 447.12320 211.0
[M]- 447.12430 211.0
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.