CID 3043319

Brn 0533795

Structural Information

Molecular Formula
C6H9N7S
SMILES
C1C(=NC2=C(N=CN=C2S1)NN)NN
InChI
InChI=1S/C6H9N7S/c7-12-3-1-14-6-4(11-3)5(13-8)9-2-10-6/h2H,1,7-8H2,(H,11,12)(H,9,10,13)
InChIKey
ITIHUVNNDIFXTR-UHFFFAOYSA-N
Compound name
(4-hydrazinyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.06401 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07129 136.2
[M+Na]+ 234.05323 144.7
[M-H]- 210.05673 136.3
[M+NH4]+ 229.09783 151.2
[M+K]+ 250.02717 140.1
[M+H-H2O]+ 194.06127 128.4
[M+HCOO]- 256.06221 154.1
[M+CH3COO]- 270.07786 147.5
[M+Na-2H]- 232.03868 144.9
[M]+ 211.06346 132.5
[M]- 211.06456 132.5
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.