CID 3034003

1240-37-5

Structural Information

Molecular Formula

C₂₁H₁₆N₂S

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H16N2S/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,22,23,24)

InChIKey

VFCZSWPNOOGGAJ-UHFFFAOYSA-N

Compound name

1,3-dinaphthalen-1-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 51
Patents: 328.10342 Da
Monoisotopic Mass: 4.9
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]+	329.11070	173.0
[M+Na]+	351.09264	189.8
[M+NH4]+	346.13724	184.0
[M+K]+	367.06658	177.0
[M-H]-	327.09614	181.7
[M+Na-2H]-	349.07809	184.8
[M]+	328.10287	178.6
[M]-	328.10397	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe