CID 12371636

2-(methylthio)-3-nitropyrazolo[1,5-a]pyridine

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

72
Patents

209.0259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03318 138.8
[M+Na]+ 232.01512 149.6
[M-H]- 208.01862 142.2
[M+NH4]+ 227.05972 158.1
[M+K]+ 247.98906 142.3
[M+H-H2O]+ 192.02316 136.9
[M+HCOO]- 254.02410 159.2
[M+CH3COO]- 268.03975 178.4
[M+Na-2H]- 230.00057 146.2
[M]+ 209.02535 141.6
[M]- 209.02645 141.6
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

patents stripe