CID 44146103

Einecs 306-763-9

Structural Information

Molecular Formula

C₁₃H₁₈N₆

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=NN=CN2C

InChI

InChI=1S/C13H18N6/c1-4-19(5-2)12-8-6-11(7-9-12)15-17-13-16-14-10-18(13)3/h6-10H,4-5H2,1-3H3

InChIKey

CCNLPWRUWMCWJX-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.1593 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]+	259.166576	159.5
[M+Na]+	281.148518	167.1
[M-H]-	257.152024	166.7
[M+NH4]+	276.193123	175.3
[M+K]+	297.122458	165.5
[M+H-H2O]+	241.156560	148.4
[M+HCOO]-	303.157501	187.9
[M+CH3COO]-	317.173151	211.1
[M+Na-2H]-	279.133966	166.0
[M]+	258.15875142	163.5
[M]-	258.15984858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe