CID 135406018

1369382-35-3

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

COC1=CC=C(C=C1)N=C2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)

InChIKey

PXSATUQXASGWQE-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)imino-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 2.5
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]+	253.09715	154.7
[M+Na]+	275.07909	163.6
[M-H]-	251.08259	161.5
[M+NH4]+	270.12369	173.0
[M+K]+	291.05303	158.8
[M+H-H2O]+	235.08713	146.8
[M+HCOO]-	297.08807	178.5
[M+CH3COO]-	311.10372	167.5
[M+Na-2H]-	273.06454	160.1
[M]+	252.08932	154.6
[M]-	252.09042	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.