CID 105486173

4-bromo-2-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H5BrN2S
SMILES
CC1=NC2=C(C=CS2)C(=N1)Br
InChI
InChI=1S/C7H5BrN2S/c1-4-9-6(8)5-2-3-11-7(5)10-4/h2-3H,1H3
InChIKey
IOGJMDZJYGNYIN-UHFFFAOYSA-N
Compound name
4-bromo-2-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.93568 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.942956 128.3
[M+Na]+ 250.924898 145.2
[M-H]- 226.928404 134.9
[M+NH4]+ 245.969503 152.1
[M+K]+ 266.898838 133.8
[M+H-H2O]+ 210.932940 129.5
[M+HCOO]- 272.933881 146.5
[M+CH3COO]- 286.949531 145.7
[M+Na-2H]- 248.910346 136.4
[M]+ 227.93513142 151.6
[M]- 227.93622858 151.6
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.