CID 61406881

3-(1-benzothiophen-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H9N3S
SMILES
C1=CC=C2C(=C1)C=C(S2)C3=CC(=NN3)N
InChI
InChI=1S/C11H9N3S/c12-11-6-8(13-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,12,13,14)
InChIKey
HBUYTDMBPRZSLZ-UHFFFAOYSA-N
Compound name
5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05171 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.058986 142.6
[M+Na]+ 238.040928 154.7
[M-H]- 214.044434 147.9
[M+NH4]+ 233.085533 163.3
[M+K]+ 254.014868 149.1
[M+H-H2O]+ 198.048970 136.6
[M+HCOO]- 260.049911 162.7
[M+CH3COO]- 274.065561 156.5
[M+Na-2H]- 236.026376 145.7
[M]+ 215.05116142 144.0
[M]- 215.05225858 144.0
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.