CID 214737

34057-33-5

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1C(=O)NC2=NC=CN=C2S1
InChI
InChI=1S/C7H7N3OS/c1-4-6(11)10-5-7(12-4)9-3-2-8-5/h2-4H,1H3,(H,8,10,11)
InChIKey
UZHUJHQUJHHUTQ-UHFFFAOYSA-N
Compound name
2-methyl-4H-pyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.03099 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 134.7
[M+Na]+ 204.02021 144.6
[M-H]- 180.02371 134.1
[M+NH4]+ 199.06481 151.9
[M+K]+ 219.99415 140.4
[M+H-H2O]+ 164.02825 127.9
[M+HCOO]- 226.02919 146.9
[M+CH3COO]- 240.04484 146.7
[M+Na-2H]- 202.00566 140.2
[M]+ 181.03044 133.4
[M]- 181.03154 133.4
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

patents stripe