CID 155821992

2490314-25-3

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@@H]2C[C@H]1CN([C@@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-22(26)21-15-10-9-14(11-15)12-24(21)23(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20-21H,9-13H2,(H,25,26)/t14-,15+,21-/m0/s1
InChIKey
OJEUJTNCRCSZRV-ZSDSOXJFSA-N
Compound name
(1R,2S,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.2.1]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 189.3
[M+Na]+ 400.15194 194.0
[M-H]- 376.15544 193.9
[M+NH4]+ 395.19654 205.6
[M+K]+ 416.12588 188.8
[M+H-H2O]+ 360.15998 182.2
[M+HCOO]- 422.16092 201.3
[M+CH3COO]- 436.17657 197.7
[M+Na-2H]- 398.13739 187.2
[M]+ 377.16217 188.5
[M]- 377.16327 188.5
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.