CID 448949

6-bromoindirubin-3'-oxime

Structural Information

Molecular Formula

C₁₆H₁₀BrN₃O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Br)O)N=O

InChI

InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H

InChIKey

SAQUSDSPQYQNBG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 202
References: 3241
Patents: 354.99564 Da
Monoisotopic Mass: 3.9
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]+	356.00292	172.2
[M+Na]+	377.98486	187.2
[M-H]-	353.98836	180.6
[M+NH4]+	373.02946	190.8
[M+K]+	393.95880	173.6
[M+H-H2O]+	337.99290	171.5
[M+HCOO]-	399.99384	193.4
[M+CH3COO]-	414.00949	186.2
[M+Na-2H]-	375.97031	178.2
[M]+	354.99509	193.2
[M]-	354.99619	193.2

Literature stripe

literature stripe

Patent stripe

patents stripe