CID 81122334

3-(4-methoxythiophen-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H9N3OS
SMILES
COC1=CSC(=C1)C2=CC(=NN2)N
InChI
InChI=1S/C8H9N3OS/c1-12-5-2-7(13-4-5)6-3-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
InChIKey
PVSNXBBNGTVSNW-UHFFFAOYSA-N
Compound name
5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 137.8
[M+Na]+ 218.035848 149.3
[M-H]- 194.039354 142.2
[M+NH4]+ 213.080453 158.2
[M+K]+ 234.009788 145.5
[M+H-H2O]+ 178.043890 131.4
[M+HCOO]- 240.044831 158.8
[M+CH3COO]- 254.060481 151.9
[M+Na-2H]- 216.021296 139.3
[M]+ 195.04608142 140.1
[M]- 195.04717858 140.1
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.