CID 205343

17790-37-3

Structural Information

Molecular Formula
C15H21N2S
SMILES
CCC1=C(SC(=[N+]1C)C2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C15H21N2S/c1-6-14-11(2)18-15(17(14)5)12-7-9-13(10-8-12)16(3)4/h7-10H,6H2,1-5H3/q+1
InChIKey
BXLMXSXJNYOXBU-UHFFFAOYSA-N
Compound name
4-(4-ethyl-3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14983 159.7
[M+Na]+ 284.13177 169.1
[M-H]- 260.13527 167.9
[M+NH4]+ 279.17637 178.7
[M+K]+ 300.10571 160.1
[M+H-H2O]+ 244.13981 155.2
[M+HCOO]- 306.14075 179.3
[M+CH3COO]- 320.15640 197.5
[M+Na-2H]- 282.11722 161.1
[M]+ 261.14200 163.5
[M]- 261.14310 163.5
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.