CID 12371636

63432-37-1

Structural Information

Molecular Formula

C₈H₇N₃O₂S

SMILES

CSC1=NN2C=CC=CC2=C1[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O2S/c1-14-8-7(11(12)13)6-4-2-3-5-10(6)9-8/h2-5H,1H3

InChIKey

DBOKFPYOOZIULN-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-3-nitropyrazolo[1,5-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 209.0259 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.03318	137.8
[M+Na]+	232.01512	151.9
[M+NH4]+	227.05972	146.6
[M+K]+	247.98906	148.1
[M-H]-	208.01862	140.6
[M+Na-2H]-	230.00057	143.9
[M]+	209.02535	140.9
[M]-	209.02645	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe