CID 3009802

5-amino-2-(2-hydroxyethoxymethyl)-1,1-dioxo-1,2,6-thiadiazine-4-carbonitrile

Structural Information

Molecular Formula
C7H10N4O4S
SMILES
C1=C(C(=NS(=O)(=O)N1COCCO)N)C#N
InChI
InChI=1S/C7H10N4O4S/c8-3-6-4-11(5-15-2-1-12)16(13,14)10-7(6)9/h4,12H,1-2,5H2,(H2,9,10)
InChIKey
OFXNZSKELVBNSO-UHFFFAOYSA-N
Compound name
5-amino-2-(2-hydroxyethoxymethyl)-1,1-dioxo-1,2,6-thiadiazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.04228 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04956 148.4
[M+Na]+ 269.03150 159.0
[M-H]- 245.03500 148.2
[M+NH4]+ 264.07610 162.8
[M+K]+ 285.00544 156.8
[M+H-H2O]+ 229.03954 135.8
[M+HCOO]- 291.04048 161.0
[M+CH3COO]- 305.05613 199.5
[M+Na-2H]- 267.01695 151.9
[M]+ 246.04173 145.9
[M]- 246.04283 145.9
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.