CID 3044960

1h-naphtho(2,1-b)pyran-8-carboxylic acid, 3-(diethylamino)-1-oxo-, methyl ester

Structural Information

Molecular Formula

C₁₉H₁₉NO₄

SMILES

CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H19NO4/c1-4-20(5-2)17-11-15(21)18-14-8-6-13(19(22)23-3)10-12(14)7-9-16(18)24-17/h6-11H,4-5H2,1-3H3

InChIKey

NUGPYGNFAVTMDU-UHFFFAOYSA-N

Compound name

methyl 3-(diethylamino)-1-oxobenzo[f]chromene-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1314 Da
Monoisotopic Mass: 3.7
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]+	326.138676	174.6
[M+Na]+	348.120618	184.2
[M-H]-	324.124124	182.7
[M+NH4]+	343.165223	190.2
[M+K]+	364.094558	182.7
[M+H-H2O]+	308.128660	166.2
[M+HCOO]-	370.129601	197.3
[M+CH3COO]-	384.145251	216.5
[M+Na-2H]-	346.106066	181.0
[M]+	325.13085142	183.0
[M]-	325.13194858	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.