CID 93715

Einecs 260-811-2

Structural Information

Molecular Formula

C₁₇H₁₈N₈O

SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=NC(=C(N2)C#N)C#N)NC(=O)C

InChI

InChI=1S/C17H18N8O/c1-4-25(5-2)12-6-7-13(14(8-12)20-11(3)26)23-24-17-21-15(9-18)16(10-19)22-17/h6-8H,4-5H2,1-3H3,(H,20,26)(H,21,22)

InChIKey

AMIQZHJEWZUYNL-UHFFFAOYSA-N

Compound name

N-[2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-(diethylamino)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.16037 Da
Monoisotopic Mass: 2.3
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]+	351.167646	187.5
[M+Na]+	373.149588	193.9
[M-H]-	349.153094	190.3
[M+NH4]+	368.194193	194.2
[M+K]+	389.123528	191.3
[M+H-H2O]+	333.157630	167.7
[M+HCOO]-	395.158571	200.7
[M+CH3COO]-	409.174221	244.9
[M+Na-2H]-	371.135036	185.8
[M]+	350.15982142	179.6
[M]-	350.16091858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.