CID 205341

17790-36-2

Structural Information

Molecular Formula
C17H25N2S
SMILES
CCCCCC1=CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H25N2S/c1-5-6-7-8-16-13-20-17(19(16)4)14-9-11-15(12-10-14)18(2)3/h9-13H,5-8H2,1-4H3/q+1
InChIKey
UXHSPHRLBGHSFG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17386 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18114 169.6
[M+Na]+ 312.16308 177.2
[M-H]- 288.16658 177.0
[M+NH4]+ 307.20768 187.1
[M+K]+ 328.13702 167.7
[M+H-H2O]+ 272.17112 164.3
[M+HCOO]- 334.17206 188.5
[M+CH3COO]- 348.18771 202.3
[M+Na-2H]- 310.14853 170.5
[M]+ 289.17331 173.6
[M]- 289.17441 173.6
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.