CID 3040993

Brn 0986307

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CCN1C(=O)C(SC2=NC=CN=C21)C
InChI
InChI=1S/C9H11N3OS/c1-3-12-7-8(11-5-4-10-7)14-6(2)9(12)13/h4-6H,3H2,1-2H3
InChIKey
NCEJRBFCXYNDRQ-UHFFFAOYSA-N
Compound name
4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06229 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.069566 143.3
[M+Na]+ 232.051508 153.6
[M-H]- 208.055014 144.1
[M+NH4]+ 227.096113 160.4
[M+K]+ 248.025448 149.8
[M+H-H2O]+ 192.059550 136.0
[M+HCOO]- 254.060491 156.3
[M+CH3COO]- 268.076141 155.5
[M+Na-2H]- 230.036956 147.4
[M]+ 209.06174142 144.9
[M]- 209.06283858 144.9
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.