CID 3301641

243669-49-0

Structural Information

Molecular Formula
C11H8N2OS2
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1
InChI
InChI=1S/C11H8N2OS2/c1-6-12-10(14)9-7(5-16-11(9)13-6)8-3-2-4-15-8/h2-5H,1H3,(H,12,13,14)
InChIKey
SVVXRASHNTXIFF-UHFFFAOYSA-N
Compound name
2-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

248.00781 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01509 150.0
[M+Na]+ 270.99703 164.7
[M-H]- 247.00053 156.2
[M+NH4]+ 266.04163 170.7
[M+K]+ 286.97097 158.6
[M+H-H2O]+ 231.00507 145.6
[M+HCOO]- 293.00601 164.8
[M+CH3COO]- 307.02166 164.2
[M+Na-2H]- 268.98248 150.5
[M]+ 248.00726 155.3
[M]- 248.00836 155.3
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.