CID 136262895

5-(4-fluorophenyl)-6-methyl-2-(1h-pyrrol-3-yl)-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C17H12FN3OS
SMILES
CC1=C(C2=C(S1)N=C(NC2=O)C3=CNC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H12FN3OS/c1-9-13(10-2-4-12(18)5-3-10)14-16(22)20-15(21-17(14)23-9)11-6-7-19-8-11/h2-8,19H,1H3,(H,20,21,22)
InChIKey
LAMPVIKYNKPGPB-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-6-methyl-2-(1H-pyrrol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0685 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07578 173.1
[M+Na]+ 348.05772 188.2
[M+NH4]+ 343.10232 180.5
[M+K]+ 364.03166 182.1
[M-H]- 324.06122 176.2
[M+Na-2H]- 346.04317 180.5
[M]+ 325.06795 176.6
[M]- 325.06905 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.