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]+ 255.953856 136.1
[M+Na]+ 277.935798 150.5
[M-H]- 253.939304 143.8
[M+NH4]+ 272.980403 156.8
[M+K]+ 293.909738 138.0
[M+H-H2O]+ 237.943840 135.6
[M+HCOO]- 299.944781 154.3
[M+CH3COO]- 313.960431 152.0
[M+Na-2H]- 275.921246 141.7
[M]+ 254.94603142 155.4
[M]- 254.94712858 155.4
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.