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 142.6
[M+Na]+ 238.04093 154.7
[M-H]- 214.04443 147.9
[M+NH4]+ 233.08553 163.3
[M+K]+ 254.01487 149.1
[M+H-H2O]+ 198.04897 136.6
[M+HCOO]- 260.04991 162.7
[M+CH3COO]- 274.06556 156.5
[M+Na-2H]- 236.02638 145.7
[M]+ 215.05116 144.0
[M]- 215.05226 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.