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 155.1
[M+Na]+ 270.11611 164.9
[M-H]- 246.11961 163.5
[M+NH4]+ 265.16071 174.6
[M+K]+ 286.09005 156.2
[M+H-H2O]+ 230.12415 150.7
[M+HCOO]- 292.12509 175.0
[M+CH3COO]- 306.14074 194.5
[M+Na-2H]- 268.10156 157.0
[M]+ 247.12634 158.5
[M]- 247.12744 158.5
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.