CID 56972041

1187927-07-6

Structural Information

Molecular Formula
C22H23NO4
SMILES
C[C@H]1[C@H](CCCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c1-14-15(21(24)25)11-6-12-23(14)22(26)27-13-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-5,7-10,14-15,20H,6,11-13H2,1H3,(H,24,25)/t14-,15-/m0/s1
InChIKey
NRSJXNCIMCCZPV-GJZGRUSLSA-N
Compound name
(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 187.3
[M+Na]+ 388.151938 192.5
[M-H]- 364.155444 192.4
[M+NH4]+ 383.196543 201.1
[M+K]+ 404.125878 187.7
[M+H-H2O]+ 348.159980 179.0
[M+HCOO]- 410.160921 201.0
[M+CH3COO]- 424.176571 214.5
[M+Na-2H]- 386.137386 186.0
[M]+ 365.16217142 186.1
[M]- 365.16326858 186.1
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.