CID 5280117

N-[(6s)-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-yl]benzamide

Structural Information

Molecular Formula
C13H12N4O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C13H12N4O4/c18-12(9-4-2-1-3-5-9)14-10-6-16-7-11(17(19)20)15-13(16)21-8-10/h1-5,7,10H,6,8H2,(H,14,18)/t10-/m0/s1
InChIKey
IVOFLYTWSVNFIX-JTQLQIEISA-N
Compound name
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08585 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09313 159.7
[M+Na]+ 311.07507 164.6
[M-H]- 287.07857 165.2
[M+NH4]+ 306.11967 172.0
[M+K]+ 327.04901 158.8
[M+H-H2O]+ 271.08311 155.1
[M+HCOO]- 333.08405 180.1
[M+CH3COO]- 347.09970 194.8
[M+Na-2H]- 309.06052 167.6
[M]+ 288.08530 156.7
[M]- 288.08640 156.7
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.