CID 3049965

Brn 0525277

Structural Information

Molecular Formula
C6H8N6S
SMILES
C1C(=NC2=C(N=C(N=C2S1)N)N)N
InChI
InChI=1S/C6H8N6S/c7-2-1-13-5-3(10-2)4(8)11-6(9)12-5/h1H2,(H2,7,10)(H4,8,9,11,12)
InChIKey
BRRSDGWGJXNOPY-UHFFFAOYSA-N
Compound name
7H-pyrimido[4,5-b][1,4]thiazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05312 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06040 136.5
[M+Na]+ 219.04234 146.6
[M-H]- 195.04584 136.4
[M+NH4]+ 214.08694 152.4
[M+K]+ 235.01628 141.7
[M+H-H2O]+ 179.05038 129.2
[M+HCOO]- 241.05132 152.6
[M+CH3COO]- 255.06697 148.2
[M+Na-2H]- 217.02779 142.3
[M]+ 196.05257 132.8
[M]- 196.05367 132.8
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.