CID 26105

Misonidazole

Structural Information

Molecular Formula
C7H11N3O4
SMILES
COCC(CN1C=CN=C1[N+](=O)[O-])O
InChI
InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3
InChIKey
OBBCSXFCDPPXOL-UHFFFAOYSA-N
Compound name
1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1664
References

8954
Patents

201.07495 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08223 140.3
[M+Na]+ 224.06417 147.1
[M-H]- 200.06767 140.3
[M+NH4]+ 219.10877 156.9
[M+K]+ 240.03811 142.6
[M+H-H2O]+ 184.07221 137.8
[M+HCOO]- 246.07315 162.8
[M+CH3COO]- 260.08880 175.2
[M+Na-2H]- 222.04962 146.6
[M]+ 201.07440 140.3
[M]- 201.07550 140.3
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.