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
3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 257.969496 139.1
[M+Na]+ 279.951438 155.4
[M-H]- 255.954944 147.8
[M+NH4]+ 274.996043 161.9
[M+K]+ 295.925378 143.5
[M+H-H2O]+ 239.959480 139.0
[M+HCOO]- 301.960421 159.4
[M+CH3COO]- 315.976071 155.9
[M+Na-2H]- 277.936886 142.3
[M]+ 256.96167142 160.7
[M]- 256.96276858 160.7
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.