CID 3701777

Nsc150554

Structural Information

Molecular Formula

C₁₅H₁₄N₂S₂

SMILES

C1=CC=C(C=C1)C2NC(SC(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C15H14N2S2/c18-15-17-13(11-7-3-1-4-8-11)16-14(19-15)12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)

InChIKey

PPCOHTPXMURTDH-UHFFFAOYSA-N

Compound name

4,6-diphenyl-1,3,5-thiadiazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 286.05984 Da
Monoisotopic Mass: 3.7
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]+	287.06712	158.9
[M+Na]+	309.04906	165.9
[M-H]-	285.05256	162.3
[M+NH4]+	304.09366	171.1
[M+K]+	325.02300	156.6
[M+H-H2O]+	269.05710	151.3
[M+HCOO]-	331.05804	164.8
[M+CH3COO]-	345.07369	167.9
[M+Na-2H]-	307.03451	159.4
[M]+	286.05929	152.4
[M]-	286.06039	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe