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]+ 182.038266 134.7
[M+Na]+ 204.020208 144.6
[M-H]- 180.023714 134.1
[M+NH4]+ 199.064813 151.9
[M+K]+ 219.994148 140.4
[M+H-H2O]+ 164.028250 127.9
[M+HCOO]- 226.029191 146.9
[M+CH3COO]- 240.044841 146.7
[M+Na-2H]- 202.005656 140.2
[M]+ 181.03044142 133.4
[M]- 181.03153858 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