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]+ 364.154336 192.7
[M+Na]+ 386.136278 198.2
[M-H]- 362.139784 196.9
[M+NH4]+ 381.180883 210.8
[M+K]+ 402.110218 196.0
[M+H-H2O]+ 346.144320 184.1
[M+HCOO]- 408.145261 204.2
[M+CH3COO]- 422.160911 201.4
[M+Na-2H]- 384.121726 193.8
[M]+ 363.14651142 207.5
[M]- 363.14760858 207.5
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.