CID 209180

2-(p-(dimethylamino)phenyl)-5-isopropyl-3,4-dimethyl-thiazolium iodide

Structural Information

Molecular Formula
C16H23N2S
SMILES
CC1=C(SC(=[N+]1C)C2=CC=C(C=C2)N(C)C)C(C)C
InChI
InChI=1S/C16H23N2S/c1-11(2)15-12(3)18(6)16(19-15)13-7-9-14(10-8-13)17(4)5/h7-11H,1-6H3/q+1
InChIKey
PVOSEPRVKUBZTR-UHFFFAOYSA-N
Compound name
4-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1582 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16548 164.0
[M+Na]+ 298.14742 172.6
[M-H]- 274.15092 172.1
[M+NH4]+ 293.19202 182.3
[M+K]+ 314.12136 163.9
[M+H-H2O]+ 258.15546 159.4
[M+HCOO]- 320.15640 182.2
[M+CH3COO]- 334.17205 201.2
[M+Na-2H]- 296.13287 163.9
[M]+ 275.15765 167.5
[M]- 275.15875 167.5
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.