CID 5388085

Nsc631610

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C2C(=C1)/C(=C\C3=CC=CC=N3)/C(=O)N2

InChI

InChI=1S/C14H10N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-9H,(H,16,17)/b12-9+

InChIKey

YKQONSWBHGBDSB-FMIVXFBMSA-N

Compound name

(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 222.07932 Da
Monoisotopic Mass: 1.9
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]+	223.08660	148.8
[M+Na]+	245.06854	157.9
[M-H]-	221.07204	152.6
[M+NH4]+	240.11314	166.4
[M+K]+	261.04248	151.7
[M+H-H2O]+	205.07658	140.7
[M+HCOO]-	267.07752	168.9
[M+CH3COO]-	281.09317	161.0
[M+Na-2H]-	243.05399	154.2
[M]+	222.07877	145.9
[M]-	222.07987	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe