CID 3038130

28921-29-1

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=S
InChI
InChI=1S/C11H10N2O3S/c1-16-8-4-2-7(3-5-8)13-10(15)6-9(14)12-11(13)17/h2-5H,6H2,1H3,(H,12,14,17)
InChIKey
BEXQTUOZCTYWFF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

250.04121 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 155.0
[M+Na]+ 273.03043 167.3
[M+NH4]+ 268.07503 161.6
[M+K]+ 289.00437 159.7
[M-H]- 249.03393 156.5
[M+Na-2H]- 271.01588 159.8
[M]+ 250.04066 157.4
[M]- 250.04176 157.4
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.