CID 3041902

4(1h)-pyrimidinone, 5-(2-thienyl)-

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CSC(=C1)C2=CN=CNC2=O
InChI
InChI=1S/C8H6N2OS/c11-8-6(4-9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKey
WFDUTZFILXSXNT-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.02008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.027356 133.1
[M+Na]+ 201.009298 143.9
[M-H]- 177.012804 137.0
[M+NH4]+ 196.053903 152.4
[M+K]+ 216.983238 139.6
[M+H-H2O]+ 161.017340 126.5
[M+HCOO]- 223.018281 151.7
[M+CH3COO]- 237.033931 147.0
[M+Na-2H]- 198.994746 137.1
[M]+ 178.01953142 133.6
[M]- 178.02062858 133.6
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

patents stripe