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

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]+ 257.96950 139.1
[M+Na]+ 279.95144 155.4
[M-H]- 255.95494 147.8
[M+NH4]+ 274.99604 161.9
[M+K]+ 295.92538 143.5
[M+H-H2O]+ 239.95948 139.0
[M+HCOO]- 301.96042 159.4
[M+CH3COO]- 315.97607 155.9
[M+Na-2H]- 277.93689 142.3
[M]+ 256.96167 160.7
[M]- 256.96277 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.