CID 4962108

1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCC1=C(C(=CC=C1)CC)N2C(=O)CC(=O)NC2=S
InChI
InChI=1S/C14H16N2O2S/c1-3-9-6-5-7-10(4-2)13(9)16-12(18)8-11(17)15-14(16)19/h5-7H,3-4,8H2,1-2H3,(H,15,17,19)
InChIKey
XSUMZHIBQKJRJA-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.100536 162.5
[M+Na]+ 299.082478 171.1
[M-H]- 275.085984 165.4
[M+NH4]+ 294.127083 176.3
[M+K]+ 315.056418 164.9
[M+H-H2O]+ 259.090520 155.0
[M+HCOO]- 321.091461 174.3
[M+CH3COO]- 335.107111 197.2
[M+Na-2H]- 297.067926 160.8
[M]+ 276.09271142 161.5
[M]- 276.09380858 161.5
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.