CID 4962527

2-[1-(piperazin-1-yl)ethyl]-1,3-benzothiazole dihydrochloride

Structural Information

Molecular Formula
C13H17N3S
SMILES
CC(C1=NC2=CC=CC=C2S1)N3CCNCC3
InChI
InChI=1S/C13H17N3S/c1-10(16-8-6-14-7-9-16)13-15-11-4-2-3-5-12(11)17-13/h2-5,10,14H,6-9H2,1H3
InChIKey
ODJUAJUMDAPBJB-UHFFFAOYSA-N
Compound name
2-(1-piperazin-1-ylethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.11432 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.121596 154.0
[M+Na]+ 270.103538 161.6
[M-H]- 246.107044 156.1
[M+NH4]+ 265.148143 170.0
[M+K]+ 286.077478 156.4
[M+H-H2O]+ 230.111580 146.0
[M+HCOO]- 292.112521 165.4
[M+CH3COO]- 306.128171 164.5
[M+Na-2H]- 268.088986 155.7
[M]+ 247.11377142 151.7
[M]- 247.11486858 151.7
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.