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]+ 378.17000 182.8
[M+Na]+ 400.15194 185.3
[M-H]- 376.15544 181.1
[M+NH4]+ 395.19654 201.4
[M+K]+ 416.12588 180.2
[M+H-H2O]+ 360.15998 173.9
[M+HCOO]- 422.16092 187.2
[M+CH3COO]- 436.17657 189.1
[M+Na-2H]- 398.13739 188.7
[M]+ 377.16217 184.3
[M]- 377.16327 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.