CID 3294

7-ethoxyresorufin

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3

InChIKey

CRCWUBLTFGOMDD-UHFFFAOYSA-N

Compound name

7-ethoxyphenoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 428
References: 2196
Patents: 241.0739 Da
Monoisotopic Mass: 1.8
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]+	242.08118	149.5
[M+Na]+	264.06312	160.5
[M-H]-	240.06662	154.9
[M+NH4]+	259.10772	166.8
[M+K]+	280.03706	157.9
[M+H-H2O]+	224.07116	141.6
[M+HCOO]-	286.07210	170.5
[M+CH3COO]-	300.08775	163.1
[M+Na-2H]-	262.04857	159.9
[M]+	241.07335	154.4
[M]-	241.07445	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe