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 159.5
[M+Na]+ 305.01220 169.4
[M-H]- 281.01570 162.5
[M+NH4]+ 300.05680 173.9
[M+K]+ 320.98614 162.3
[M+H-H2O]+ 265.02024 153.0
[M+HCOO]- 327.02118 167.3
[M+CH3COO]- 341.03683 194.9
[M+Na-2H]- 302.99765 158.3
[M]+ 282.02243 159.6
[M]- 282.02353 159.6
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.