CID 43158864

3-(5-bromothiophen-2-yl)-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H8BrN3S
SMILES
CN1C(=CC(=N1)C2=CC=C(S2)Br)N
InChI
InChI=1S/C8H8BrN3S/c1-12-8(10)4-5(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3
InChIKey
FMUXQMTZGTXPDB-UHFFFAOYSA-N
Compound name
5-(5-bromothiophen-2-yl)-2-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

256.96222 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.96950 145.1
[M+Na]+ 279.95144 148.2
[M+NH4]+ 274.99604 150.2
[M+K]+ 295.92538 149.7
[M-H]- 255.95494 146.6
[M+Na-2H]- 277.93689 148.6
[M]+ 256.96167 145.1
[M]- 256.96277 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.