CID 3702829

3,4-dihydro-6,8-diamino-2h-pyrimido(2,1-b)thiazin-5-ium chloride

Structural Information

Molecular Formula
C7H11N4S
SMILES
C1C[N+]2=C(C=C(N=C2SC1)N)N
InChI
InChI=1S/C7H10N4S/c8-5-4-6(9)11-2-1-3-12-7(11)10-5/h4H,1-3H2,(H3,8,9)/p+1
InChIKey
VQNPJFIHCJFOBC-UHFFFAOYSA-O
Compound name
3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-5-ium-6,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07045 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07773 130.6
[M+Na]+ 206.05967 138.7
[M-H]- 182.06317 131.9
[M+NH4]+ 201.10427 148.4
[M+K]+ 222.03361 129.3
[M+H-H2O]+ 166.06771 126.6
[M+HCOO]- 228.06865 145.7
[M+CH3COO]- 242.08430 176.5
[M+Na-2H]- 204.04512 138.6
[M]+ 183.06990 125.2
[M]- 183.07100 125.2
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.