CID 47002740

1-(4-chlorophenyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
CCC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O2S/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-7(13)4-6-8/h3-6,9H,2H2,1H3,(H,14,16,18)
InChIKey
TUSJVIDIUXHTAF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02298 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 162.0
[M+Na]+ 305.01220 175.8
[M+NH4]+ 300.05680 169.4
[M+K]+ 320.98614 166.7
[M-H]- 281.01570 164.1
[M+Na-2H]- 302.99765 166.9
[M]+ 282.02243 165.2
[M]- 282.02353 165.2
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

No patent data available for this compound.