CID 135420529

2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-6-phenyl-4(3h)-pyrimidinone

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
C1COCCN1C(=O)CSC2=NC(=CC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O3S/c20-14-10-13(12-4-2-1-3-5-12)17-16(18-14)23-11-15(21)19-6-8-22-9-7-19/h1-5,10H,6-9,11H2,(H,17,18,20)
InChIKey
FGSIAMSYJFDDED-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

331.09906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.106336 175.0
[M+Na]+ 354.088278 181.1
[M-H]- 330.091784 179.4
[M+NH4]+ 349.132883 182.5
[M+K]+ 370.062218 176.2
[M+H-H2O]+ 314.096320 164.8
[M+HCOO]- 376.097261 184.7
[M+CH3COO]- 390.112911 183.5
[M+Na-2H]- 352.073726 176.5
[M]+ 331.09851142 173.2
[M]- 331.09960858 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.