CID 139596866

154486-28-9

Structural Information

Molecular Formula

C₁₉H₁₇ClN₄O

SMILES

C1C(OC(=N)C1(CN2C=NC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN4O/c20-16-8-6-14(7-9-16)17-10-19(18(21)25-17,11-24-13-22-12-23-24)15-4-2-1-3-5-15/h1-9,12-13,17,21H,10-11H2

InChIKey

QYOZGLDOOKDVGO-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-3-phenyl-3-(1,2,4-triazol-1-ylmethyl)oxolan-2-imine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 352.1091 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]+	353.116376	181.6
[M+Na]+	375.098318	190.2
[M-H]-	351.101824	191.4
[M+NH4]+	370.142923	194.5
[M+K]+	391.072258	184.0
[M+H-H2O]+	335.106360	170.7
[M+HCOO]-	397.107301	197.4
[M+CH3COO]-	411.122951	192.0
[M+Na-2H]-	373.083766	182.8
[M]+	352.10855142	181.8
[M]-	352.10964858	181.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.