CID 3038681

41798-82-7

Structural Information

Molecular Formula

C₁₃H₁₃N₅

SMILES

CN(N=NC1=CC=CC=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C13H13N5/c1-18(16-14-12-8-4-2-5-9-12)17-15-13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

JTAOTQINXCVGIK-UHFFFAOYSA-N

Compound name

N,N-bis(phenyldiazenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.1171 Da
Monoisotopic Mass: 4.7
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]+	240.12438	150.7
[M+Na]+	262.10632	155.9
[M-H]-	238.10982	163.8
[M+NH4]+	257.15092	169.4
[M+K]+	278.08026	156.0
[M+H-H2O]+	222.11436	140.2
[M+HCOO]-	284.11530	187.2
[M+CH3COO]-	298.13095	214.6
[M+Na-2H]-	260.09177	162.4
[M]+	239.11655	153.1
[M]-	239.11765	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe