CID 145913432

2377004-53-8

Structural Information

Molecular Formula
C22H23NO5
SMILES
CO[C@@H]1C[C@@H](CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO5/c1-27-15-10-14(21(24)25)11-23(12-15)22(26)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20H,10-13H2,1H3,(H,24,25)/t14-,15+/m0/s1
InChIKey
RQBVQXNAOZPOPE-LSDHHAIUSA-N
Compound name
(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-methoxypiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 189.7
[M+Na]+ 404.146838 194.5
[M-H]- 380.150344 194.7
[M+NH4]+ 399.191443 202.6
[M+K]+ 420.120778 190.6
[M+H-H2O]+ 364.154880 181.2
[M+HCOO]- 426.155821 203.5
[M+CH3COO]- 440.171471 216.7
[M+Na-2H]- 402.132286 188.7
[M]+ 381.15707142 189.9
[M]- 381.15816858 189.9
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.