CID 6751

Diacetylaminoazotoluene

Structural Information

Molecular Formula

C₁₈H₁₉N₃O₂

SMILES

CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N(C(=O)C)C(=O)C)C

InChI

InChI=1S/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3

InChIKey

YIEDSISPYKQADU-UHFFFAOYSA-N

Compound name

N-acetyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 2040
Patents: 309.14774 Da
Monoisotopic Mass: 3.6
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]+	310.155016	173.9
[M+Na]+	332.136958	180.3
[M-H]-	308.140464	185.0
[M+NH4]+	327.181563	189.8
[M+K]+	348.110898	179.2
[M+H-H2O]+	292.145000	164.5
[M+HCOO]-	354.145941	202.4
[M+CH3COO]-	368.161591	222.3
[M+Na-2H]-	330.122406	176.5
[M]+	309.14719142	177.7
[M]-	309.14828858	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe