CID 700795

37469-24-2

Structural Information

Molecular Formula

C₁₅H₁₁N₃S

SMILES

C1=CC=C(C=C1)C2=NC(=S)NN=C2C3=CC=CC=C3

InChI

InChI=1S/C15H11N3S/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)

InChIKey

PESHFZNRQCTMDJ-UHFFFAOYSA-N

Compound name

5,6-diphenyl-2H-1,2,4-triazine-3-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 36
Patents: 265.06738 Da
Monoisotopic Mass: 3.2
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]+	266.07466	158.0
[M+Na]+	288.05660	168.2
[M-H]-	264.06010	162.9
[M+NH4]+	283.10120	170.1
[M+K]+	304.03054	159.8
[M+H-H2O]+	248.06464	148.5
[M+HCOO]-	310.06558	173.2
[M+CH3COO]-	324.08123	169.1
[M+Na-2H]-	286.04205	163.2
[M]+	265.06683	156.6
[M]-	265.06793	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe