CID 203830

4-(2,4-dimethylphenyl)-3-methyl-2-(methylamino)thiazolium chloride hydrobromide

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC(=C(C=C1)C2=CSC(=NC)N2C)C
InChI
InChI=1S/C13H16N2S/c1-9-5-6-11(10(2)7-9)12-8-16-13(14-3)15(12)4/h5-8H,1-4H3
InChIKey
UBLBHBFCSWWRCG-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylphenyl)-N,3-dimethyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 150.6
[M+Na]+ 255.09264 162.0
[M-H]- 231.09614 158.9
[M+NH4]+ 250.13724 171.2
[M+K]+ 271.06658 157.7
[M+H-H2O]+ 215.10068 143.7
[M+HCOO]- 277.10162 172.4
[M+CH3COO]- 291.11727 195.8
[M+Na-2H]- 253.07809 151.5
[M]+ 232.10287 155.1
[M]- 232.10397 155.1
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.