CID 49759859

1221793-43-6

Structural Information

Molecular Formula
C21H19NO5
SMILES
C1CN([C@@H](CC1=O)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19NO5/c23-13-9-10-22(19(11-13)20(24)25)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-12H2,(H,24,25)/t19-/m0/s1
InChIKey
YGAHCGORXONSSM-IBGZPJMESA-N
Compound name
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-oxopiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13358 184.1
[M+Na]+ 388.11552 189.7
[M-H]- 364.11902 189.4
[M+NH4]+ 383.16012 197.6
[M+K]+ 404.08946 185.3
[M+H-H2O]+ 348.12356 175.9
[M+HCOO]- 410.12450 198.4
[M+CH3COO]- 424.14015 213.2
[M+Na-2H]- 386.10097 183.6
[M]+ 365.12575 183.3
[M]- 365.12685 183.3
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

patents stripe