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]+ 210.06957 143.3
[M+Na]+ 232.05151 153.6
[M-H]- 208.05501 144.1
[M+NH4]+ 227.09611 160.4
[M+K]+ 248.02545 149.8
[M+H-H2O]+ 192.05955 136.0
[M+HCOO]- 254.06049 156.3
[M+CH3COO]- 268.07614 155.5
[M+Na-2H]- 230.03696 147.4
[M]+ 209.06174 144.9
[M]- 209.06284 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.