CID 5474587

47346-96-3

Structural Information

Molecular Formula

C₁₉H₁₈F₃NS

SMILES

CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+

InChIKey

XVQXETRXWKTQSQ-VGOFMYFVSA-N

Compound name

(3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 349.1112 Da
Monoisotopic Mass: 5.4
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]+	350.118476	177.6
[M+Na]+	372.100418	185.5
[M-H]-	348.103924	179.6
[M+NH4]+	367.145023	194.0
[M+K]+	388.074358	179.1
[M+H-H2O]+	332.108460	167.7
[M+HCOO]-	394.109401	188.7
[M+CH3COO]-	408.125051	218.3
[M+Na-2H]-	370.085866	180.0
[M]+	349.11065142	176.6
[M]-	349.11174858	176.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.