CID 120014

28705-46-6

Structural Information

Molecular Formula

C₁₆H₁₉NO₄

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC

InChI

InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3

InChIKey

MSOLGAJLRIINNF-UHFFFAOYSA-N

Compound name

ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1049
Patents: 289.1314 Da
Monoisotopic Mass: 3.2
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]+	290.13868	165.6
[M+Na]+	312.12062	173.6
[M-H]-	288.12412	172.5
[M+NH4]+	307.16522	181.7
[M+K]+	328.09456	173.3
[M+H-H2O]+	272.12866	158.1
[M+HCOO]-	334.12960	188.5
[M+CH3COO]-	348.14525	208.7
[M+Na-2H]-	310.10607	170.5
[M]+	289.13085	172.8
[M]-	289.13195	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe