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]+ 378.169996 189.3
[M+Na]+ 400.151938 194.0
[M-H]- 376.155444 193.9
[M+NH4]+ 395.196543 205.6
[M+K]+ 416.125878 188.8
[M+H-H2O]+ 360.159980 182.2
[M+HCOO]- 422.160921 201.3
[M+CH3COO]- 436.176571 197.7
[M+Na-2H]- 398.137386 187.2
[M]+ 377.16217142 188.5
[M]- 377.16326858 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.