CID 83960

Chloramphenicol glucuronide

Structural Information

Molecular Formula
C17H20Cl2N2O11
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C17H20Cl2N2O11/c18-14(19)15(26)20-8(9(22)6-1-3-7(4-2-6)21(29)30)5-31-17-12(25)10(23)11(24)13(32-17)16(27)28/h1-4,8-14,17,22-25H,5H2,(H,20,26)(H,27,28)/t8-,9-,10+,11+,12-,13+,17-/m1/s1
InChIKey
UARPTSDFEIFMJP-PEXHWNMISA-N
Compound name
(2S,3S,4S,5R,6R)-6-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

16
Patents

498.0444 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.05168 197.7
[M+Na]+ 521.03362 203.1
[M+NH4]+ 516.07822 198.0
[M+K]+ 537.00756 207.4
[M-H]- 497.03712 196.6
[M+Na-2H]- 519.01907 194.9
[M]+ 498.04385 197.6
[M]- 498.04495 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe