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]+ 228.94296 128.3
[M+Na]+ 250.92490 145.2
[M-H]- 226.92840 134.9
[M+NH4]+ 245.96950 152.1
[M+K]+ 266.89884 133.8
[M+H-H2O]+ 210.93294 129.5
[M+HCOO]- 272.93388 146.5
[M+CH3COO]- 286.94953 145.7
[M+Na-2H]- 248.91035 136.4
[M]+ 227.93513 151.6
[M]- 227.93623 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.