CID 3451461

122062-68-4

Structural Information

Molecular Formula

C₁₄H₁₄N₄

SMILES

CC(NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H14N4/c1-11(15-12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16-17-18/h2-11,15H,1H3

InChIKey

HLIOCSMHAVCKMV-UHFFFAOYSA-N

Compound name

N-[1-(benzotriazol-1-yl)ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 238.12184 Da
Monoisotopic Mass: 3.4
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]+	239.12912	152.1
[M+Na]+	261.11106	160.9
[M-H]-	237.11456	156.2
[M+NH4]+	256.15566	167.9
[M+K]+	277.08500	156.0
[M+H-H2O]+	221.11910	142.4
[M+HCOO]-	283.12004	174.6
[M+CH3COO]-	297.13569	164.2
[M+Na-2H]-	259.09651	160.3
[M]+	238.12129	152.8
[M]-	238.12239	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe