CID 114982

Resorufin benzyl ether

Structural Information

Molecular Formula

C₁₉H₁₃NO₃

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C4C=CC(=O)C=C4O3

InChI

InChI=1S/C19H13NO3/c21-14-6-8-16-18(10-14)23-19-11-15(7-9-17(19)20-16)22-12-13-4-2-1-3-5-13/h1-11H,12H2

InChIKey

XNZRYTITWLGTJS-UHFFFAOYSA-N

Compound name

7-phenylmethoxyphenoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 67
References: 235
Patents: 303.08954 Da
Monoisotopic Mass: 2.9
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]+	304.09682	168.1
[M+Na]+	326.07876	187.0
[M+NH4]+	321.12336	177.6
[M+K]+	342.05270	177.3
[M-H]-	302.08226	175.5
[M+Na-2H]-	324.06421	178.2
[M]+	303.08899	173.3
[M]-	303.09009	173.3

Literature stripe

literature stripe

Patent stripe

patents stripe