CID 3841915

Oprea1_349054

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₃

SMILES

C1=CC2=C(C=CC(=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])O)N=C1

InChI

InChI=1S/C16H11N3O3/c20-16-6-4-14(19(21)22)9-12(16)10-18-13-3-5-15-11(8-13)2-1-7-17-15/h1-10,20H

InChIKey

FUONIBGOHUAYPQ-UHFFFAOYSA-N

Compound name

4-nitro-2-(quinolin-6-yliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 293.08005 Da
Monoisotopic Mass: 3.0
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]+	294.087326	163.1
[M+Na]+	316.069268	170.1
[M-H]-	292.072774	169.6
[M+NH4]+	311.113873	176.5
[M+K]+	332.043208	161.3
[M+H-H2O]+	276.077310	158.2
[M+HCOO]-	338.078251	187.4
[M+CH3COO]-	352.093901	198.7
[M+Na-2H]-	314.054716	173.0
[M]+	293.07950142	161.8
[M]-	293.08059858	161.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.