CID 68724

Pirinidazole

Structural Information

Molecular Formula
C10H10N4O2S
SMILES
CN1C(=CN=C1CSC2=CC=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O2S/c1-13-8(12-6-10(13)14(15)16)7-17-9-4-2-3-5-11-9/h2-6H,7H2,1H3
InChIKey
IRVDBEMWNQAVEV-UHFFFAOYSA-N
Compound name
2-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

250.05244 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05972 151.7
[M+Na]+ 273.04166 160.5
[M-H]- 249.04516 155.6
[M+NH4]+ 268.08626 166.5
[M+K]+ 289.01560 152.7
[M+H-H2O]+ 233.04970 147.7
[M+HCOO]- 295.05064 170.3
[M+CH3COO]- 309.06629 185.7
[M+Na-2H]- 271.02711 156.5
[M]+ 250.05189 152.6
[M]- 250.05299 152.6
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.