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]+ 210.069566 143.0
[M+Na]+ 232.051508 152.4
[M-H]- 208.055014 143.4
[M+NH4]+ 227.096113 159.8
[M+K]+ 248.025448 148.7
[M+H-H2O]+ 192.059550 135.4
[M+HCOO]- 254.060491 156.0
[M+CH3COO]- 268.076141 154.8
[M+Na-2H]- 230.036956 147.8
[M]+ 209.06174142 144.2
[M]- 209.06283858 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.