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]+ 366.17000 188.8
[M+Na]+ 388.15194 194.8
[M-H]- 364.15544 194.7
[M+NH4]+ 383.19654 204.6
[M+K]+ 404.12588 190.1
[M+H-H2O]+ 348.15998 181.8
[M+HCOO]- 410.16092 204.9
[M+CH3COO]- 424.17657 214.0
[M+Na-2H]- 386.13739 185.7
[M]+ 365.16217 190.0
[M]- 365.16327 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.