CID 136278805

1510628-81-5

Structural Information

Molecular Formula
C7H5BrN2OS
SMILES
C1=CSC2=C1N=C(NC2=O)CBr
InChI
InChI=1S/C7H5BrN2OS/c8-3-5-9-4-1-2-12-6(4)7(11)10-5/h1-2H,3H2,(H,9,10,11)
InChIKey
PPFBTQZZWNQTCD-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93788 131.5
[M+Na]+ 266.91982 147.9
[M-H]- 242.92332 136.6
[M+NH4]+ 261.96442 153.8
[M+K]+ 282.89376 135.3
[M+H-H2O]+ 226.92786 132.7
[M+HCOO]- 288.92880 148.4
[M+CH3COO]- 302.94445 148.0
[M+Na-2H]- 264.90527 139.1
[M]+ 243.93005 153.6
[M]- 243.93115 153.6
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.