CID 207578

Brn 0796214

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1CN(C(=O)NC1=O)OCC2=CC=CS2
InChI
InChI=1S/C9H10N2O3S/c12-8-3-4-11(9(13)10-8)14-6-7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H,10,12,13)
InChIKey
IUQCBRABJZCMDD-UHFFFAOYSA-N
Compound name
1-(thiophen-2-ylmethoxy)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04121 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 149.0
[M+Na]+ 249.03043 159.0
[M+NH4]+ 244.07503 156.0
[M+K]+ 265.00437 153.7
[M-H]- 225.03393 149.8
[M+Na-2H]- 247.01588 152.8
[M]+ 226.04066 150.7
[M]- 226.04176 150.7
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.