CID 209190

19422-10-7

Structural Information

Molecular Formula

C₁₂H₁₅N₂S

SMILES

C[N+]1=C(SC=C1)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C12H15N2S/c1-13(2)11-6-4-10(5-7-11)12-14(3)8-9-15-12/h4-9H,1-3H3/q+1

InChIKey

SHMQXDIYVWGEEL-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(3-methyl-1,3-thiazol-3-ium-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.0956 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.10288	147.0
[M+Na]+	242.08482	156.0
[M-H]-	218.08832	155.1
[M+NH4]+	237.12942	167.1
[M+K]+	258.05876	147.8
[M+H-H2O]+	202.09286	142.5
[M+HCOO]-	264.09380	167.7
[M+CH3COO]-	278.10945	186.3
[M+Na-2H]-	240.07027	151.2
[M]+	219.09505	149.0
[M]-	219.09615	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe