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]+ 216.05899 142.9
[M+Na]+ 238.04093 156.0
[M+NH4]+ 233.08553 152.4
[M+K]+ 254.01487 150.7
[M-H]- 214.04443 146.8
[M+Na-2H]- 236.02638 150.5
[M]+ 215.05116 146.3
[M]- 215.05226 146.3
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.