CID 3062470

Chloramphenicol 4-morpholineacetate

Structural Information

Molecular Formula
C17H21Cl2N3O7
SMILES
C1COCCN1CC(=O)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(CO)NC(=O)C(Cl)Cl
InChI
InChI=1S/C17H21Cl2N3O7/c18-16(19)17(25)20-13(10-23)15(11-1-3-12(4-2-11)22(26)27)29-14(24)9-21-5-7-28-8-6-21/h1-4,13,15-16,23H,5-10H2,(H,20,25)
InChIKey
ITLKERMFQPDNAG-UHFFFAOYSA-N
Compound name
[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl] 2-morpholin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.07565 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08293 193.9
[M+Na]+ 472.06487 193.1
[M-H]- 448.06837 196.1
[M+NH4]+ 467.10947 198.3
[M+K]+ 488.03881 187.9
[M+H-H2O]+ 432.07291 191.4
[M+HCOO]- 494.07385 198.7
[M+CH3COO]- 508.08950 219.0
[M+Na-2H]- 470.05032 193.7
[M]+ 449.07510 193.8
[M]- 449.07620 193.8
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.