CID 135513919

188712-74-5

Structural Information

Molecular Formula

C₂₀H₁₈N₂O₃

SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C(=CC=C4)O)O2

InChI

InChI=1S/C20H18N2O3/c1-3-22(4-2)12-8-9-14-17(10-12)25-18-11-16(24)13-6-5-7-15(23)19(13)20(18)21-14/h5-11,23H,3-4H2,1-2H3

InChIKey

DEZZCLWULBPEKP-UHFFFAOYSA-N

Compound name

9-(diethylamino)-1-hydroxybenzo[a]phenoxazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 334.13174 Da
Monoisotopic Mass: 3.4
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]+	335.139016	177.9
[M+Na]+	357.120958	188.8
[M-H]-	333.124464	184.4
[M+NH4]+	352.165563	192.1
[M+K]+	373.094898	184.9
[M+H-H2O]+	317.129000	168.3
[M+HCOO]-	379.129941	197.5
[M+CH3COO]-	393.145591	189.6
[M+Na-2H]-	355.106406	186.6
[M]+	334.13119142	184.3
[M]-	334.13228858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe