CID 216613

Brn 0521738

Structural Information

Molecular Formula
C7H9N5S
SMILES
CC1=C2C(=NC(=N1)N)SCC(=N2)N
InChI
InChI=1S/C7H9N5S/c1-3-5-6(12-7(9)10-3)13-2-4(8)11-5/h2H2,1H3,(H2,8,11)(H2,9,10,12)
InChIKey
ZPJVPKSAISMOKY-UHFFFAOYSA-N
Compound name
4-methyl-7H-pyrimido[4,5-b][1,4]thiazine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05786 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06514 138.3
[M+Na]+ 218.04708 148.8
[M-H]- 194.05058 138.7
[M+NH4]+ 213.09168 155.0
[M+K]+ 234.02102 144.1
[M+H-H2O]+ 178.05512 131.1
[M+HCOO]- 240.05606 153.7
[M+CH3COO]- 254.07171 150.4
[M+Na-2H]- 216.03253 143.8
[M]+ 195.05731 136.6
[M]- 195.05841 136.6
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.