CID 65182

Nile red

Structural Information

Molecular Formula

C₂₀H₁₈N₂O₂

SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2

InChI

InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3

InChIKey

VOFUROIFQGPCGE-UHFFFAOYSA-N

Compound name

9-(diethylamino)benzo[a]phenoxazin-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 685
References: 34584
Patents: 318.13684 Da
Monoisotopic Mass: 3.8
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]+	319.14412	173.8
[M+Na]+	341.12606	192.1
[M+NH4]+	336.17066	183.5
[M+K]+	357.10000	182.4
[M-H]-	317.12956	180.7
[M+Na-2H]-	339.11151	181.8
[M]+	318.13629	178.8
[M]-	318.13739	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe