CID 62858

Azidamfenicol

Structural Information

Molecular Formula
C11H13N5O5
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)CN=[N+]=[N-])O)[N+](=O)[O-]
InChI
InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1
InChIKey
SGRUZFCHLOFYHZ-MWLCHTKSSA-N
Compound name
2-azido-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

3239
Patents

295.09167 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.098946 159.8
[M+Na]+ 318.080888 161.4
[M-H]- 294.084394 162.5
[M+NH4]+ 313.125493 208.8
[M+K]+ 334.054828 151.7
[M+H-H2O]+ 278.088930 160.4
[M+HCOO]- 340.089871 217.5
[M+CH3COO]- 354.105521 196.2
[M+Na-2H]- 316.066336 167.3
[M]+ 295.09112142 153.8
[M]- 295.09221858 153.8
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