CID 211663

23514-96-7

Structural Information

Molecular Formula

C₂₁H₂₆N₂S₂

SMILES

CC(CC1=CC=CC=C1)N2CN(C(=S)SC2)C(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2S2/c1-17(13-19-9-5-3-6-10-19)22-15-23(21(24)25-16-22)18(2)14-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3

InChIKey

NRYJOOYPJHAVNH-UHFFFAOYSA-N

Compound name

3,5-bis(1-phenylpropan-2-yl)-1,3,5-thiadiazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.15375 Da
Monoisotopic Mass: 6.1
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]+	371.161026	183.5
[M+Na]+	393.142968	187.7
[M-H]-	369.146474	188.5
[M+NH4]+	388.187573	193.4
[M+K]+	409.116908	180.1
[M+H-H2O]+	353.151010	174.2
[M+HCOO]-	415.151951	188.1
[M+CH3COO]-	429.167601	190.9
[M+Na-2H]-	391.128416	180.2
[M]+	370.15320142	181.3
[M]-	370.15429858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.