CID 83057876

1549438-52-9

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCC1(CCCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c1-2-22(20(24)25)12-7-13-23(22)21(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,2,7,12-14H2,1H3,(H,24,25)
InChIKey
MCZKFDBPXUGEPJ-UHFFFAOYSA-N
Compound name
2-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 189.4
[M+Na]+ 388.151938 195.7
[M-H]- 364.155444 195.2
[M+NH4]+ 383.196543 207.0
[M+K]+ 404.125878 190.9
[M+H-H2O]+ 348.159980 182.3
[M+HCOO]- 410.160921 205.4
[M+CH3COO]- 424.176571 212.2
[M+Na-2H]- 386.137386 188.0
[M]+ 365.16217142 190.5
[M]- 365.16326858 190.5
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.