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]+ 182.04950 132.8
[M+Na]+ 204.03144 142.9
[M-H]- 180.03494 133.0
[M+NH4]+ 199.07604 149.7
[M+K]+ 220.00538 138.4
[M+H-H2O]+ 164.03948 125.5
[M+HCOO]- 226.04042 148.6
[M+CH3COO]- 240.05607 145.0
[M+Na-2H]- 202.01689 139.6
[M]+ 181.04167 130.4
[M]- 181.04277 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.