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]+ 196.05391 137.8
[M+Na]+ 218.03585 149.3
[M-H]- 194.03935 142.2
[M+NH4]+ 213.08045 158.2
[M+K]+ 234.00979 145.5
[M+H-H2O]+ 178.04389 131.4
[M+HCOO]- 240.04483 158.8
[M+CH3COO]- 254.06048 151.9
[M+Na-2H]- 216.02130 139.3
[M]+ 195.04608 140.1
[M]- 195.04718 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.