CID 478065

284681-70-5

Structural Information

Molecular Formula
C14H15ClN2O2S
SMILES
CCC(C)OC1=CC(=O)NC(=N1)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H15ClN2O2S/c1-3-9(2)19-13-8-12(18)16-14(17-13)20-11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKey
JTFODQIOWZNFCS-UHFFFAOYSA-N
Compound name
4-butan-2-yloxy-2-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.0543 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06158 165.2
[M+Na]+ 333.04352 174.8
[M-H]- 309.04702 168.4
[M+NH4]+ 328.08812 178.3
[M+K]+ 349.01746 168.1
[M+H-H2O]+ 293.05156 157.7
[M+HCOO]- 355.05250 175.3
[M+CH3COO]- 369.06815 199.8
[M+Na-2H]- 331.02897 166.3
[M]+ 310.05375 170.2
[M]- 310.05485 170.2
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.