CID 3043318

Brn 0529644

Structural Information

Molecular Formula
C7H9N5S2
SMILES
CSC1=NC=NC2=C1N=C(CS2)NN
InChI
InChI=1S/C7H9N5S2/c1-13-6-5-7(10-3-9-6)14-2-4(11-5)12-8/h3H,2,8H2,1H3,(H,11,12)
InChIKey
DPFUWPYORQJUIY-UHFFFAOYSA-N
Compound name
(4-methylsulfanyl-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

227.02994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03722 139.5
[M+Na]+ 250.01916 149.3
[M-H]- 226.02266 139.5
[M+NH4]+ 245.06376 155.1
[M+K]+ 265.99310 143.4
[M+H-H2O]+ 210.02720 132.7
[M+HCOO]- 272.02814 150.1
[M+CH3COO]- 286.04379 150.8
[M+Na-2H]- 248.00461 145.1
[M]+ 227.02939 139.2
[M]- 227.03049 139.2
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.