CID 210221

21176-82-9

Structural Information

Molecular Formula
C15H21N2S
SMILES
CCCC1=CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C15H21N2S/c1-5-6-14-11-18-15(17(14)4)12-7-9-13(10-8-12)16(2)3/h7-11H,5-6H2,1-4H3/q+1
InChIKey
BXNRGIUMUNQQIE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(3-methyl-4-propyl-1,3-thiazol-3-ium-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14983 160.4
[M+Na]+ 284.13177 168.9
[M-H]- 260.13527 168.2
[M+NH4]+ 279.17637 179.0
[M+K]+ 300.10571 159.9
[M+H-H2O]+ 244.13981 155.5
[M+HCOO]- 306.14075 180.0
[M+CH3COO]- 320.15640 196.4
[M+Na-2H]- 282.11722 162.3
[M]+ 261.14200 163.7
[M]- 261.14310 163.7
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.