CID 205562

(2-anilino-5-acetamido)tropone

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

CC(=O)NC1=CC=C(C(=O)C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O2/c1-11(18)16-13-7-9-14(15(19)10-8-13)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)(H,17,19)

InChIKey

UXWNCONWVYWLFD-UHFFFAOYSA-N

Compound name

N-(4-anilino-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.10553 Da
Monoisotopic Mass: 2.2
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]+	255.112806	156.6
[M+Na]+	277.094748	161.5
[M-H]-	253.098254	164.6
[M+NH4]+	272.139353	171.8
[M+K]+	293.068688	163.6
[M+H-H2O]+	237.102790	149.8
[M+HCOO]-	299.103731	181.5
[M+CH3COO]-	313.119381	200.5
[M+Na-2H]-	275.080196	161.7
[M]+	254.10498142	153.1
[M]-	254.10607858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.