CID 11061

Thiphenamil

Structural Information

Molecular Formula

C₂₀H₂₅NOS

SMILES

CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H25NOS/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3

InChIKey

WHLUQAYNVOGZST-UHFFFAOYSA-N

Compound name

S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 34
References: 3139
Patents: 327.16568 Da
Monoisotopic Mass: 4.7
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]+	328.172956	180.8
[M+Na]+	350.154898	184.0
[M-H]-	326.158404	187.5
[M+NH4]+	345.199503	195.0
[M+K]+	366.128838	179.9
[M+H-H2O]+	310.162940	171.8
[M+HCOO]-	372.163881	197.8
[M+CH3COO]-	386.179531	214.0
[M+Na-2H]-	348.140346	180.2
[M]+	327.16513142	184.0
[M]-	327.16622858	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe