CID 3707

Indirubin-3'-monoxime

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O

InChI

InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H

InChIKey

FQCPPVRJPILDIK-UHFFFAOYSA-N

Compound name

3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 155
References: 2407
Patents: 277.0851 Da
Monoisotopic Mass: 3.2
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]+	278.09238	158.4
[M+Na]+	300.07432	170.6
[M-H]-	276.07782	164.2
[M+NH4]+	295.11892	176.2
[M+K]+	316.04826	163.7
[M+H-H2O]+	260.08236	151.2
[M+HCOO]-	322.08330	182.1
[M+CH3COO]-	336.09895	171.4
[M+Na-2H]-	298.05977	164.7
[M]+	277.08455	161.0
[M]-	277.08565	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe