CID 210219

21176-81-8

Structural Information

Molecular Formula
C14H19N2S
SMILES
CC1=C(SC(=[N+]1C)C2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C14H19N2S/c1-10-11(2)17-14(16(10)5)12-6-8-13(9-7-12)15(3)4/h6-9H,1-5H3/q+1
InChIKey
FADGUODLEVBJNA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12689 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13417 154.1
[M+Na]+ 270.11611 169.7
[M+NH4]+ 265.16071 164.8
[M+K]+ 286.09005 162.8
[M-H]- 246.11961 161.2
[M+Na-2H]- 268.10156 162.8
[M]+ 247.12634 159.3
[M]- 247.12744 159.3
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

No patent data available for this compound.