CID 137949259

2002257-09-0

Structural Information

Molecular Formula
C22H21NO4
SMILES
CC12CC(C1)(N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c1-21-11-22(12-21,19(24)25)23(13-21)20(26)27-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,24,25)
InChIKey
CKOVLYIWQWFXDG-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 180.3
[M+Na]+ 386.13628 184.7
[M+NH4]+ 381.18088 187.7
[M+K]+ 402.11022 182.6
[M-H]- 362.13978 176.8
[M+Na-2H]- 384.12173 178.0
[M]+ 363.14651 178.9
[M]- 363.14761 178.9
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.