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]+ 203.048486 141.2
[M+Na]+ 225.030428 149.4
[M-H]- 201.033934 140.8
[M+NH4]+ 220.075033 157.7
[M+K]+ 241.004368 146.1
[M+H-H2O]+ 185.038470 135.0
[M+HCOO]- 247.039411 153.9
[M+CH3COO]- 261.055061 180.1
[M+Na-2H]- 223.015876 141.7
[M]+ 202.04066142 140.8
[M]- 202.04175858 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.