CID 3041839

2-amino-6h-imidazo(4,5-g)benzothiazole dihydrochloride hydrate

Structural Information

Molecular Formula
C8H6N4S
SMILES
C1=CC2=C(C3=C1NC=N3)SC(=N2)N
InChI
InChI=1S/C8H6N4S/c9-8-12-5-2-1-4-6(7(5)13-8)11-3-10-4/h1-3H,(H2,9,12)(H,10,11)
InChIKey
ZXDGBAAVLSDTRD-UHFFFAOYSA-N
Compound name
6H-imidazo[4,5-g][1,3]benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.03131 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03859 133.5
[M+Na]+ 213.02053 148.1
[M-H]- 189.02403 135.9
[M+NH4]+ 208.06513 155.4
[M+K]+ 228.99447 143.0
[M+H-H2O]+ 173.02857 128.1
[M+HCOO]- 235.02951 153.1
[M+CH3COO]- 249.04516 148.2
[M+Na-2H]- 211.00598 139.7
[M]+ 190.03076 137.2
[M]- 190.03186 137.3
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

patents stripe