CID 155971302

2171775-41-8

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCC1CCN(C1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c1-2-14-11-12-23(20(14)21(24)25)22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,2,11-13H2,1H3,(H,24,25)
InChIKey
YZATVOIRRXYYKP-UHFFFAOYSA-N
Compound name
3-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 188.8
[M+Na]+ 388.151938 194.8
[M-H]- 364.155444 194.7
[M+NH4]+ 383.196543 204.6
[M+K]+ 404.125878 190.1
[M+H-H2O]+ 348.159980 181.8
[M+HCOO]- 410.160921 204.9
[M+CH3COO]- 424.176571 214.0
[M+Na-2H]- 386.137386 185.7
[M]+ 365.16217142 190.0
[M]- 365.16326858 190.0
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.