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]+ 170.06208 126.8
[M+Na]+ 192.04402 136.4
[M-H]- 168.04752 128.8
[M+NH4]+ 187.08862 147.2
[M+K]+ 208.01796 127.6
[M+H-H2O]+ 152.05206 123.3
[M+HCOO]- 214.05300 144.5
[M+CH3COO]- 228.06865 173.1
[M+Na-2H]- 190.02947 133.6
[M]+ 169.05425 123.3
[M]- 169.05535 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.