CID 3008080

16081-93-9

Structural Information

Molecular Formula

C₁₄H₁₀N₂S₂

SMILES

C1=CC=C(C=C1)N2C(=S)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C14H10N2S2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)

InChIKey

DJJOAJCVIYRELX-UHFFFAOYSA-N

Compound name

3-phenyl-1H-quinazoline-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 97
Patents: 270.02853 Da
Monoisotopic Mass: 3.4
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]+	271.03581	153.2
[M+Na]+	293.01775	165.2
[M-H]-	269.02125	157.3
[M+NH4]+	288.06235	168.6
[M+K]+	308.99169	155.9
[M+H-H2O]+	253.02579	146.4
[M+HCOO]-	315.02673	163.5
[M+CH3COO]-	329.04238	164.9
[M+Na-2H]-	291.00320	157.3
[M]+	270.02798	153.4
[M]-	270.02908	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe