CID 5388854

Nsc639687

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)/C=N/N2C(=O)CC3=CC=CC=C32

InChI

InChI=1S/C16H14N2O2/c1-20-14-8-6-12(7-9-14)11-17-18-15-5-3-2-4-13(15)10-16(18)19/h2-9,11H,10H2,1H3/b17-11+

InChIKey

UITQBCVHKGGRFX-GZTJUZNOSA-N

Compound name

1-[(E)-(4-methoxyphenyl)methylideneamino]-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 2.6
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]+	267.112806	159.2
[M+Na]+	289.094748	168.0
[M-H]-	265.098254	167.1
[M+NH4]+	284.139353	177.6
[M+K]+	305.068688	163.9
[M+H-H2O]+	249.102790	150.8
[M+HCOO]-	311.103731	184.1
[M+CH3COO]-	325.119381	201.1
[M+Na-2H]-	287.080196	164.4
[M]+	266.10498142	161.2
[M]-	266.10607858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.