CID 3041843

6h-imidazo(4,5-g)benzothiazole-2-amine, 6-(2-(1-piperidinyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C15H19N5S
SMILES
C1CCN(CC1)CCN2C=NC3=C2C=CC4=C3SC(=N4)N
InChI
InChI=1S/C15H19N5S/c16-15-18-11-4-5-12-13(14(11)21-15)17-10-20(12)9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9H2,(H2,16,18)
InChIKey
NCWIEJJWJPUCEM-UHFFFAOYSA-N
Compound name
6-(2-piperidin-1-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14338 166.1
[M+Na]+ 324.12532 177.1
[M-H]- 300.12882 170.1
[M+NH4]+ 319.16992 182.3
[M+K]+ 340.09926 171.0
[M+H-H2O]+ 284.13336 157.9
[M+HCOO]- 346.13430 180.7
[M+CH3COO]- 360.14995 177.3
[M+Na-2H]- 322.11077 167.5
[M]+ 301.13555 168.1
[M]- 301.13665 168.1
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.