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 143.0
[M+Na]+ 232.05151 152.4
[M-H]- 208.05501 143.4
[M+NH4]+ 227.09611 159.8
[M+K]+ 248.02545 148.7
[M+H-H2O]+ 192.05955 135.4
[M+HCOO]- 254.06049 156.0
[M+CH3COO]- 268.07614 154.8
[M+Na-2H]- 230.03696 147.8
[M]+ 209.06174 144.2
[M]- 209.06284 144.2
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.