CID 2442157

560995-25-7

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
COCCN1C(=O)CC(=O)NC1=S
InChI
InChI=1S/C7H10N2O3S/c1-12-3-2-9-6(11)4-5(10)8-7(9)13/h2-4H2,1H3,(H,8,10,13)
InChIKey
HGSVFBQRKXSBRU-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04121 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 141.2
[M+Na]+ 225.03043 149.4
[M-H]- 201.03393 140.8
[M+NH4]+ 220.07503 157.7
[M+K]+ 241.00437 146.1
[M+H-H2O]+ 185.03847 135.0
[M+HCOO]- 247.03941 153.9
[M+CH3COO]- 261.05506 180.1
[M+Na-2H]- 223.01588 141.7
[M]+ 202.04066 140.8
[M]- 202.04176 140.8
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.