CID 13285548

2,3-dihydro-5,7-diaminothiazolo(3,2-a)pyrimidin-4-ium bromide

Structural Information

Molecular Formula
C6H9N4S
SMILES
C1CSC2=NC(=CC(=[N+]21)N)N
InChI
InChI=1S/C6H8N4S/c7-4-3-5(8)10-1-2-11-6(10)9-4/h3H,1-2H2,(H3,7,8)/p+1
InChIKey
TVPGRDGSKMRKRP-UHFFFAOYSA-O
Compound name
2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0548 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.062076 126.8
[M+Na]+ 192.044018 136.4
[M-H]- 168.047524 128.8
[M+NH4]+ 187.088623 147.2
[M+K]+ 208.017958 127.6
[M+H-H2O]+ 152.052060 123.3
[M+HCOO]- 214.053001 144.5
[M+CH3COO]- 228.068651 173.1
[M+Na-2H]- 190.029466 133.6
[M]+ 169.05425142 123.3
[M]- 169.05534858 123.3
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.