CID 126274

Meisoindigo

Structural Information

Molecular Formula

C₁₇H₁₂N₂O₂

SMILES

CN1C2=CC=CC=C2C(=C1O)C3=C4C=CC=CC4=NC3=O

InChI

InChI=1S/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12(10)18-16(14)20/h2-9,21H,1H3

InChIKey

XZYXCQXTKOYHGK-UHFFFAOYSA-N

Compound name

3-(2-hydroxy-1-methylindol-3-yl)indol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 39
References: 453
Patents: 276.08987 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]+	277.097146	161.5
[M+Na]+	299.079088	175.5
[M-H]-	275.082594	168.8
[M+NH4]+	294.123693	180.7
[M+K]+	315.053028	169.2
[M+H-H2O]+	259.087130	154.4
[M+HCOO]-	321.088071	185.2
[M+CH3COO]-	335.103721	175.5
[M+Na-2H]-	297.064536	165.9
[M]+	276.08932142	167.1
[M]-	276.09041858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe