CID 43142274

2-(5-bromothiophen-2-yl)pyrimidin-5-amine

Structural Information

Molecular Formula
C8H6BrN3S
SMILES
C1=C(SC(=C1)Br)C2=NC=C(C=N2)N
InChI
InChI=1S/C8H6BrN3S/c9-7-2-1-6(13-7)8-11-3-5(10)4-12-8/h1-4H,10H2
InChIKey
LTHVYBFNPHBNHI-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.94658 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95386 138.7
[M+Na]+ 277.93580 142.5
[M+NH4]+ 272.98040 144.1
[M+K]+ 293.90974 142.3
[M-H]- 253.93930 140.9
[M+Na-2H]- 275.92125 143.8
[M]+ 254.94603 139.0
[M]- 254.94713 139.0
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.

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No patent data available for this compound.