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]+ 382.16490 189.7
[M+Na]+ 404.14684 194.5
[M-H]- 380.15034 194.7
[M+NH4]+ 399.19144 202.6
[M+K]+ 420.12078 190.6
[M+H-H2O]+ 364.15488 181.2
[M+HCOO]- 426.15582 203.5
[M+CH3COO]- 440.17147 216.7
[M+Na-2H]- 402.13229 188.7
[M]+ 381.15707 189.9
[M]- 381.15817 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.