CID 3043316

Brn 0526105

Structural Information

Molecular Formula
C8H11N5S
SMILES
CN(C)C1=C2C(=NC=N1)SCC(=N2)N
InChI
InChI=1S/C8H11N5S/c1-13(2)7-6-8(11-4-10-7)14-3-5(9)12-6/h4H,3H2,1-2H3,(H2,9,12)
InChIKey
VDGJAEOXYNDLEW-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethyl-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

209.07352 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08080 141.9
[M+Na]+ 232.06274 151.0
[M-H]- 208.06624 143.6
[M+NH4]+ 227.10734 158.5
[M+K]+ 248.03668 147.9
[M+H-H2O]+ 192.07078 133.9
[M+HCOO]- 254.07172 158.0
[M+CH3COO]- 268.08737 154.0
[M+Na-2H]- 230.04819 148.0
[M]+ 209.07297 142.3
[M]- 209.07407 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.