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]+ 233.110696 150.6
[M+Na]+ 255.092638 162.0
[M-H]- 231.096144 158.9
[M+NH4]+ 250.137243 171.2
[M+K]+ 271.066578 157.7
[M+H-H2O]+ 215.100680 143.7
[M+HCOO]- 277.101621 172.4
[M+CH3COO]- 291.117271 195.8
[M+Na-2H]- 253.078086 151.5
[M]+ 232.10287142 155.1
[M]- 232.10396858 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.