CID 3073143

1-allyl-1-methyl-4-(6-hydroxybenzothioazol-2-yl)piperazinium iodide

Structural Information

Molecular Formula
C15H20N3OS
SMILES
C[N+]1(CCN(CC1)C2=NC3=C(S2)C=C(C=C3)O)CC=C
InChI
InChI=1S/C15H19N3OS/c1-3-8-18(2)9-6-17(7-10-18)15-16-13-5-4-12(19)11-14(13)20-15/h3-5,11H,1,6-10H2,2H3/p+1
InChIKey
HLIQXHWKESWWIF-UHFFFAOYSA-O
Compound name
2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14000 162.2
[M+Na]+ 313.12194 177.4
[M+NH4]+ 308.16654 173.0
[M+K]+ 329.09588 168.3
[M-H]- 289.12544 166.5
[M+Na-2H]- 311.10739 170.4
[M]+ 290.13217 166.6
[M]- 290.13327 166.6
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.