CID 5280118

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

Structural Information

Molecular Formula
C13H13N5O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C13H13N5O4/c19-12(14-9-4-2-1-3-5-9)15-10-6-17-7-11(18(20)21)16-13(17)22-8-10/h1-5,7,10H,6,8H2,(H2,14,15,19)/t10-/m0/s1
InChIKey
GRRUCLJIMDXBEA-JTQLQIEISA-N
Compound name
1-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.09674 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10402 161.3
[M+Na]+ 326.08596 165.3
[M-H]- 302.08946 166.8
[M+NH4]+ 321.13056 172.7
[M+K]+ 342.05990 159.5
[M+H-H2O]+ 286.09400 156.4
[M+HCOO]- 348.09494 182.7
[M+CH3COO]- 362.11059 199.2
[M+Na-2H]- 324.07141 170.2
[M]+ 303.09619 157.6
[M]- 303.09729 157.6
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.