CID 84013

Chloramphenicol 1-piperidineacetate

Structural Information

Molecular Formula
C18H23Cl2N3O6
SMILES
C1CCN(CC1)CC(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
InChI
InChI=1S/C18H23Cl2N3O6/c19-17(20)18(26)21-14(11-29-15(24)10-22-8-2-1-3-9-22)16(25)12-4-6-13(7-5-12)23(27)28/h4-7,14,16-17,25H,1-3,8-11H2,(H,21,26)
InChIKey
FQRIZIBJPZHAIS-UHFFFAOYSA-N
Compound name
[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.0964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.10368 192.3
[M+Na]+ 470.08562 200.2
[M+NH4]+ 465.13022 196.1
[M+K]+ 486.05956 199.6
[M-H]- 446.08912 193.3
[M+Na-2H]- 468.07107 194.5
[M]+ 447.09585 193.5
[M]- 447.09695 193.5
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.