CID 3068024

82619-96-3

Structural Information

Molecular Formula

C₁₉H₁₅N₅O

SMILES

C1=CC=C(C=C1)N2C(=NN=C2NC3=CC=CC=N3)C4=CC=CC=C4O

InChI

InChI=1S/C19H15N5O/c25-16-11-5-4-10-15(16)18-22-23-19(21-17-12-6-7-13-20-17)24(18)14-8-2-1-3-9-14/h1-13,25H,(H,20,21,23)

InChIKey

ZFTLUWRCLIXMSI-UHFFFAOYSA-N

Compound name

2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.12766 Da
Monoisotopic Mass: 3.5
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]+	330.134936	175.5
[M+Na]+	352.116878	183.7
[M-H]-	328.120384	182.4
[M+NH4]+	347.161483	183.8
[M+K]+	368.090818	176.0
[M+H-H2O]+	312.124920	163.2
[M+HCOO]-	374.125861	195.7
[M+CH3COO]-	388.141511	185.2
[M+Na-2H]-	350.102326	181.1
[M]+	329.12711142	173.8
[M]-	329.12820858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.