CID 15959244

Benzotriazole ester, 15

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N4O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9,15H2

InChIKey

PPIIXUVTRPOFDW-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1011 Da
Monoisotopic Mass: 2.1
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]+	253.108376	155.5
[M+Na]+	275.090318	165.4
[M-H]-	251.093824	159.6
[M+NH4]+	270.134923	170.7
[M+K]+	291.064258	160.2
[M+H-H2O]+	235.098360	146.1
[M+HCOO]-	297.099301	177.8
[M+CH3COO]-	311.114951	167.6
[M+Na-2H]-	273.075766	161.9
[M]+	252.10055142	156.4
[M]-	252.10164858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.