CID 210223

21176-85-2

Structural Information

Molecular Formula
C19H21N2S
SMILES
CC1=C([N+](=C(S1)C2=CC=C(C=C2)N(C)C)C)C3=CC=CC=C3
InChI
InChI=1S/C19H21N2S/c1-14-18(15-8-6-5-7-9-15)21(4)19(22-14)16-10-12-17(13-11-16)20(2)3/h5-13H,1-4H3/q+1
InChIKey
NZAGHEKOKOHQQE-UHFFFAOYSA-N
Compound name
4-(3,5-dimethyl-4-phenyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14255 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14983 169.9
[M+Na]+ 332.13177 187.5
[M+NH4]+ 327.17637 181.1
[M+K]+ 348.10571 179.0
[M-H]- 308.13527 179.7
[M+Na-2H]- 330.11722 181.7
[M]+ 309.14200 176.4
[M]- 309.14310 176.4
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.