CID 376575

Nsc657587

Structural Information

Molecular Formula

C₁₇H₁₂N₄OS

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O

InChI

InChI=1S/C17H12N4OS/c22-16-15(12-8-4-5-9-13(12)18-16)20-21-17-19-14(10-23-17)11-6-2-1-3-7-11/h1-10,18,22H

InChIKey

BCGBRIYJZICEFD-UHFFFAOYSA-N

Compound name

3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 320.07318 Da
Monoisotopic Mass: 4.8
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]+	321.08046	169.1
[M+Na]+	343.06240	180.4
[M-H]-	319.06590	179.4
[M+NH4]+	338.10700	185.8
[M+K]+	359.03634	173.9
[M+H-H2O]+	303.07044	161.2
[M+HCOO]-	365.07138	192.0
[M+CH3COO]-	379.08703	181.9
[M+Na-2H]-	341.04785	173.3
[M]+	320.07263	173.1
[M]-	320.07373	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe