CID 75355533

1159979-34-6

Structural Information

Molecular Formula
C7H5BrN2OS
SMILES
CC1=NC2=C(C=C(S2)Br)C(=O)N1
InChI
InChI=1S/C7H5BrN2OS/c1-3-9-6(11)4-2-5(8)12-7(4)10-3/h2H,1H3,(H,9,10,11)
InChIKey
FPURGQYERSQEGY-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93788 131.4
[M+Na]+ 266.91982 148.5
[M-H]- 242.92332 136.9
[M+NH4]+ 261.96442 153.9
[M+K]+ 282.89376 136.0
[M+H-H2O]+ 226.92786 132.8
[M+HCOO]- 288.92880 148.3
[M+CH3COO]- 302.94445 148.2
[M+Na-2H]- 264.90527 138.4
[M]+ 243.93005 153.8
[M]- 243.93115 153.8
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.