CID 15959246

Benzotriazole ester, 17

Structural Information

Molecular Formula

C₁₅H₁₄N₄O

SMILES

CNC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H14N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,16H,10H2,1H3

InChIKey

VMXNOKTVCNUECJ-UHFFFAOYSA-N

Compound name

2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 266.11676 Da
Monoisotopic Mass: 2.8
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]+	267.124036	159.7
[M+Na]+	289.105978	169.1
[M-H]-	265.109484	164.0
[M+NH4]+	284.150583	174.5
[M+K]+	305.079918	163.9
[M+H-H2O]+	249.114020	149.9
[M+HCOO]-	311.114961	182.1
[M+CH3COO]-	325.130611	171.5
[M+Na-2H]-	287.091426	166.5
[M]+	266.11621142	161.8
[M]-	266.11730858	161.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.