CID 135408801

64693-21-6

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₂

SMILES

CC(=O)NC1=CC(=NC2=CC=C(C=C2)N(C)C)C=CC1=O

InChI

InChI=1S/C16H17N3O2/c1-11(20)17-15-10-13(6-9-16(15)21)18-12-4-7-14(8-5-12)19(2)3/h4-10H,1-3H3,(H,17,20)

InChIKey

LZFVZSSTYAVFGQ-UHFFFAOYSA-N

Compound name

N-[3-[4-(dimethylamino)phenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 283.13208 Da
Monoisotopic Mass: 1.4
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]+	284.13936	166.8
[M+Na]+	306.12130	178.2
[M+NH4]+	301.16590	173.9
[M+K]+	322.09524	171.7
[M-H]-	282.12480	172.3
[M+Na-2H]-	304.10675	174.6
[M]+	283.13153	169.7
[M]-	283.13263	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe