CID 165838558

2742931-84-4

Structural Information

Molecular Formula
C23H23NO6
SMILES
CCOC(=O)[C@@H]1CCN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H23NO6/c1-2-29-22(27)18-11-12-24(20(18)21(25)26)23(28)30-13-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,18-20H,2,11-13H2,1H3,(H,25,26)/t18-,20+/m1/s1
InChIKey
ZKRGRIUQARDCRI-QUCCMNQESA-N
Compound name
(2S,3R)-3-ethoxycarbonyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15253 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15981 195.9
[M+Na]+ 432.14175 204.7
[M+NH4]+ 427.18635 201.1
[M+K]+ 448.11569 204.0
[M-H]- 408.14525 196.5
[M+Na-2H]- 430.12720 196.8
[M]+ 409.15198 196.8
[M]- 409.15308 196.8
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.