CID 135493982

Nsc687209

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂

SMILES

CCC1=NNC(=O)N1/N=C/C2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C15H14N4O2/c1-2-14-17-18-15(21)19(14)16-9-12-11-6-4-3-5-10(11)7-8-13(12)20/h3-9,20H,2H2,1H3,(H,18,21)/b16-9+

InChIKey

XUKUKFOUKQSITG-CXUHLZMHSA-N

Compound name

3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.11166 Da
Monoisotopic Mass: 2.4
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]+	283.118936	163.7
[M+Na]+	305.100878	175.0
[M-H]-	281.104384	167.5
[M+NH4]+	300.145483	177.8
[M+K]+	321.074818	168.5
[M+H-H2O]+	265.108920	154.6
[M+HCOO]-	327.109861	186.0
[M+CH3COO]-	341.125511	175.6
[M+Na-2H]-	303.086326	169.7
[M]+	282.11111142	166.1
[M]-	282.11220858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe