CID 3043314

Brn 0520622

Structural Information

Molecular Formula
C6H7N5S
SMILES
C1C(=NC2=C(N=CN=C2S1)N)N
InChI
InChI=1S/C6H7N5S/c7-3-1-12-6-4(11-3)5(8)9-2-10-6/h2H,1H2,(H2,7,11)(H2,8,9,10)
InChIKey
PKTCOLONBTYGCJ-UHFFFAOYSA-N
Compound name
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

181.04222 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.049496 132.8
[M+Na]+ 204.031438 142.9
[M-H]- 180.034944 133.0
[M+NH4]+ 199.076043 149.7
[M+K]+ 220.005378 138.4
[M+H-H2O]+ 164.039480 125.5
[M+HCOO]- 226.040421 148.6
[M+CH3COO]- 240.056071 145.0
[M+Na-2H]- 202.016886 139.6
[M]+ 181.04167142 130.4
[M]- 181.04276858 130.4
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.