CID 72684

14726-36-4

Structural Information

Molecular Formula

C₁₅H₁₅NS₂

SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)S

InChI

InChI=1S/C15H15NS2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)

InChIKey

PCERBVBQNKZCFS-UHFFFAOYSA-N

Compound name

dibenzylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 8570
Patents: 273.0646 Da
Monoisotopic Mass: 3.9
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]+	274.07188	156.8
[M+Na]+	296.05382	169.8
[M+NH4]+	291.09842	167.2
[M+K]+	312.02776	158.0
[M-H]-	272.05732	163.3
[M+Na-2H]-	294.03927	166.4
[M]+	273.06405	161.6
[M]-	273.06515	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe