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]+ 366.17000 187.8
[M+Na]+ 388.15194 197.9
[M+NH4]+ 383.19654 196.2
[M+K]+ 404.12588 193.6
[M-H]- 364.15544 189.7
[M+Na-2H]- 386.13739 191.8
[M]+ 365.16217 189.7
[M]- 365.16327 189.7
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.