CID 454562

1-etome-6diclphs-5et u

Structural Information

Molecular Formula
C15H16Cl2N2O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O3S/c1-3-12-13(20)18-15(21)19(8-22-4-2)14(12)23-11-6-9(16)5-10(17)7-11/h5-7H,3-4,8H2,1-2H3,(H,18,20,21)
InChIKey
DSEGRSTVAFERCF-UHFFFAOYSA-N
Compound name
6-(3,5-dichlorophenyl)sulfanyl-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

374.02588 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03316 176.6
[M+Na]+ 397.01510 188.6
[M-H]- 373.01860 180.0
[M+NH4]+ 392.05970 188.3
[M+K]+ 412.98904 180.6
[M+H-H2O]+ 357.02314 170.0
[M+HCOO]- 419.02408 182.6
[M+CH3COO]- 433.03973 211.2
[M+Na-2H]- 395.00055 175.7
[M]+ 374.02533 185.3
[M]- 374.02643 185.3
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.