CID 39686

50527-31-6

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄

SMILES

CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-3-14(4-2)11-9-7-5-6-8-10(9)19-13(16)12(11)15(17)18/h5-8H,3-4H2,1-2H3

InChIKey

ZFKKSGSQPHNBNR-UHFFFAOYSA-N

Compound name

4-(diethylamino)-3-nitrochromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 262.09537 Da
Monoisotopic Mass: 2.5
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]+	263.10265	154.9
[M+Na]+	285.08459	169.0
[M+NH4]+	280.12919	162.7
[M+K]+	301.05853	165.7
[M-H]-	261.08809	160.6
[M+Na-2H]-	283.07004	160.7
[M]+	262.09482	158.4
[M]-	262.09592	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.