CID 56680014

10h-phenoxazine-3-carbonitrile

Structural Information

Molecular Formula

C₁₃H₈N₂O

SMILES

C1=CC=C2C(=C1)NC3=C(O2)C=C(C=C3)C#N

InChI

InChI=1S/C13H8N2O/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H

InChIKey

GVULGBMMUORKKO-UHFFFAOYSA-N

Compound name

10H-phenoxazine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 208.06366 Da
Monoisotopic Mass: 3.6
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]+	209.07094	151.7
[M+Na]+	231.05288	166.5
[M+NH4]+	226.09748	157.8
[M+K]+	247.02682	155.3
[M-H]-	207.05638	148.7
[M+Na-2H]-	229.03833	155.5
[M]+	208.06311	152.3
[M]-	208.06421	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe