CID 735873

701202-41-7

Structural Information

Molecular Formula
C11H9N3S
SMILES
CC1=NN2C(=CC=NC2=C1)C3=CC=CS3
InChI
InChI=1S/C11H9N3S/c1-8-7-11-12-5-4-9(14(11)13-8)10-3-2-6-15-10/h2-7H,1H3
InChIKey
NMBCDIVQGUULSR-UHFFFAOYSA-N
Compound name
2-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

215.05171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.058986 143.9
[M+Na]+ 238.040928 157.5
[M-H]- 214.044434 149.7
[M+NH4]+ 233.085533 164.6
[M+K]+ 254.014868 153.2
[M+H-H2O]+ 198.048970 137.0
[M+HCOO]- 260.049911 163.8
[M+CH3COO]- 274.065561 158.5
[M+Na-2H]- 236.026376 147.0
[M]+ 215.05116142 149.1
[M]- 215.05225858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.