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
2
Annotation Hits

0
References

56
Patents

209.0259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.033176 138.8
[M+Na]+ 232.015118 149.6
[M-H]- 208.018624 142.2
[M+NH4]+ 227.059723 158.1
[M+K]+ 247.989058 142.3
[M+H-H2O]+ 192.023160 136.9
[M+HCOO]- 254.024101 159.2
[M+CH3COO]- 268.039751 178.4
[M+Na-2H]- 230.000566 146.2
[M]+ 209.02535142 141.6
[M]- 209.02644858 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