CID 68590419

130309-34-1

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@H]2C[C@H](N([C@H]2C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO4/c25-22(26)21-12-14-6-5-11-20(14)24(21)23(27)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19-21H,5-6,11-13H2,(H,25,26)/t14-,20-,21-/m0/s1
InChIKey
XPFJHPFCCQQAJH-WVFSVQOHSA-N
Compound name
(2S,3aS,6aS)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

377.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 189.5
[M+Na]+ 400.15194 198.7
[M+NH4]+ 395.19654 197.2
[M+K]+ 416.12588 198.3
[M-H]- 376.15544 191.7
[M+Na-2H]- 398.13739 190.4
[M]+ 377.16217 191.1
[M]- 377.16327 191.1
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

patents stripe