CID 376994

Nsc658214

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₃

SMILES

COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C16H11N3O3/c1-21-11-7-8-12-13(9-11)22-16(20)14(15(12)18-19-17)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

QTLPLKUPSSJBOB-UHFFFAOYSA-N

Compound name

4-azido-7-methoxy-3-phenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.08005 Da
Monoisotopic Mass: 4.2
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]+	294.087326	164.5
[M+Na]+	316.069268	173.2
[M-H]-	292.072774	175.9
[M+NH4]+	311.113873	179.5
[M+K]+	332.043208	166.0
[M+H-H2O]+	276.077310	159.5
[M+HCOO]-	338.078251	194.1
[M+CH3COO]-	352.093901	206.1
[M+Na-2H]-	314.054716	176.1
[M]+	293.07950142	166.4
[M]-	293.08059858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.