CID 747238

91393-32-7

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=S
InChI
InChI=1S/C12H12N2O3S/c1-2-17-9-5-3-8(4-6-9)14-11(16)7-10(15)13-12(14)18/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKey
GYZMDSSTMINRRY-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.05685 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 159.2
[M+Na]+ 287.04607 171.4
[M+NH4]+ 282.09067 165.7
[M+K]+ 303.02001 163.5
[M-H]- 263.04957 160.7
[M+Na-2H]- 285.03152 163.8
[M]+ 264.05630 161.6
[M]- 264.05740 161.6
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

patents stripe