CID 63310574

1341977-71-6

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCC1(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c1-2-22(20(24)25)11-12-23(14-22)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3,(H,24,25)
InChIKey
QKTJTXCMWCTZEP-UHFFFAOYSA-N
Compound name
3-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 189.4
[M+Na]+ 388.15194 195.7
[M-H]- 364.15544 195.2
[M+NH4]+ 383.19654 207.0
[M+K]+ 404.12588 190.9
[M+H-H2O]+ 348.15998 182.3
[M+HCOO]- 410.16092 205.4
[M+CH3COO]- 424.17657 212.2
[M+Na-2H]- 386.13739 188.0
[M]+ 365.16217 190.5
[M]- 365.16327 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.