CID 3040994

Brn 0986336

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CCCN1C(=O)CSC2=NC=CN=C21
InChI
InChI=1S/C9H11N3OS/c1-2-5-12-7(13)6-14-9-8(12)10-3-4-11-9/h3-4H,2,5-6H2,1H3
InChIKey
OWVXCEVRUOGBGY-UHFFFAOYSA-N
Compound name
4-propylpyrazino[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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 144.5
[M+Na]+ 232.05151 157.7
[M+NH4]+ 227.09611 152.9
[M+K]+ 248.02545 148.9
[M-H]- 208.05501 145.7
[M+Na-2H]- 230.03696 149.7
[M]+ 209.06174 147.1
[M]- 209.06284 147.1
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.