CID 112690

63512-55-0

Structural Information

Molecular Formula
C15H19N2S
SMILES
C[N+]1=C(SC2=CC=CC=C21)C=CN3CCCCC3
InChI
InChI=1S/C15H19N2S/c1-16-13-7-3-4-8-14(13)18-15(16)9-12-17-10-5-2-6-11-17/h3-4,7-9,12H,2,5-6,10-11H2,1H3/q+1
InChIKey
HXAWZUUXRUDXCL-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-piperidin-1-ylethenyl)-1,3-benzothiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1269 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13418 159.4
[M+Na]+ 282.11612 167.7
[M-H]- 258.11962 164.5
[M+NH4]+ 277.16072 177.0
[M+K]+ 298.09006 156.7
[M+H-H2O]+ 242.12416 154.2
[M+HCOO]- 304.12510 173.7
[M+CH3COO]- 318.14075 186.6
[M+Na-2H]- 280.10157 163.0
[M]+ 259.12635 157.7
[M]- 259.12745 157.7
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.