CID 3075322

174752-83-1

Structural Information

Molecular Formula

C₁₅H₁₈N₅O

SMILES

CN(C)N=NC1=CC=CC(=C1)NC(=O)C[N+]2=CC=CC=C2

InChI

InChI=1S/C15H17N5O/c1-19(2)18-17-14-8-6-7-13(11-14)16-15(21)12-20-9-4-3-5-10-20/h3-11H,12H2,1-2H3/p+1

InChIKey

GBLNCCAWCBJPSZ-UHFFFAOYSA-O

Compound name

N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.15112 Da
Monoisotopic Mass: 2.5
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]+	285.158396	165.3
[M+Na]+	307.140338	169.8
[M-H]-	283.143844	174.6
[M+NH4]+	302.184943	179.6
[M+K]+	323.114278	163.0
[M+H-H2O]+	267.148380	157.3
[M+HCOO]-	329.149321	194.7
[M+CH3COO]-	343.164971	209.9
[M+Na-2H]-	305.125786	175.2
[M]+	284.15057142	165.6
[M]-	284.15166858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.