CID 478074

284681-79-4

Structural Information

Molecular Formula
C14H15ClN2O4S
SMILES
CCC(C)OC1=CC(=O)NC(=N1)S(=O)(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H15ClN2O4S/c1-3-9(2)21-13-8-12(18)16-14(17-13)22(19,20)11-7-5-4-6-10(11)15/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKey
BKGQUYBHMLNPHF-UHFFFAOYSA-N
Compound name
4-butan-2-yloxy-2-(2-chlorophenyl)sulfonyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.0441 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05138 171.9
[M+Na]+ 365.03332 181.8
[M-H]- 341.03682 175.5
[M+NH4]+ 360.07792 183.5
[M+K]+ 381.00726 175.8
[M+H-H2O]+ 325.04136 164.7
[M+HCOO]- 387.04230 181.2
[M+CH3COO]- 401.05795 203.1
[M+Na-2H]- 363.01877 174.3
[M]+ 342.04355 177.9
[M]- 342.04465 177.9
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.