CID 3043315

7h-pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-

Structural Information

Molecular Formula
C7H9N5S
SMILES
CNC1=C2C(=NC=N1)SCC(=N2)N
InChI
InChI=1S/C7H9N5S/c1-9-6-5-7(11-3-10-6)13-2-4(8)12-5/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKey
ZEHUVTPZXKAPNE-UHFFFAOYSA-N
Compound name
4-N-methyl-7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05786 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06514 136.9
[M+Na]+ 218.04708 146.4
[M-H]- 194.05058 137.3
[M+NH4]+ 213.09168 153.5
[M+K]+ 234.02102 142.1
[M+H-H2O]+ 178.05512 129.3
[M+HCOO]- 240.05606 153.0
[M+CH3COO]- 254.07171 148.9
[M+Na-2H]- 216.03253 144.2
[M]+ 195.05731 135.7
[M]- 195.05841 135.7
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.