CID 121604466

1987261-87-9

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC2(CCC1CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO4/c25-21(26)23-11-9-15(10-12-23)13-24(23)22(27)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)
InChIKey
XSBMDSOMRNZYPV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 182.8
[M+Na]+ 400.151938 185.3
[M-H]- 376.155444 181.1
[M+NH4]+ 395.196543 201.4
[M+K]+ 416.125878 180.2
[M+H-H2O]+ 360.159980 173.9
[M+HCOO]- 422.160921 187.2
[M+CH3COO]- 436.176571 189.1
[M+Na-2H]- 398.137386 188.7
[M]+ 377.16217142 184.3
[M]- 377.16326858 184.3
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.