CID 135511270

Oprea1_143601

Structural Information

Molecular Formula

C₁₃H₉N₃O

SMILES

C1=CC=C2C(=C1)C(=NC3=CC=CC=N3)C(=O)N2

InChI

InChI=1S/C13H9N3O/c17-13-12(16-11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-8H,(H,14,15,16,17)

InChIKey

JUWBUBSLHSLHPZ-UHFFFAOYSA-N

Compound name

3-pyridin-2-ylimino-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.07455 Da
Monoisotopic Mass: 1.8
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]+	224.08183	146.9
[M+Na]+	246.06377	155.9
[M-H]-	222.06727	152.2
[M+NH4]+	241.10837	164.8
[M+K]+	262.03771	150.8
[M+H-H2O]+	206.07181	138.3
[M+HCOO]-	268.07275	169.9
[M+CH3COO]-	282.08840	159.6
[M+Na-2H]-	244.04922	154.0
[M]+	223.07400	144.8
[M]-	223.07510	144.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.