CID 5745493

K 9805

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

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

InChI

InChI=1S/C17H17NO3/c1-3-18(4-2)16-10-14(20)17-13-9-12(19)7-5-11(13)6-8-15(17)21-16/h5-10,19H,3-4H2,1-2H3

InChIKey

FKUXZGBBXUUBKI-UHFFFAOYSA-N

Compound name

3-(diethylamino)-9-hydroxybenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.12085 Da
Monoisotopic Mass: 3.5
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]+	284.128126	163.0
[M+Na]+	306.110068	173.4
[M-H]-	282.113574	170.1
[M+NH4]+	301.154673	179.9
[M+K]+	322.084008	170.7
[M+H-H2O]+	266.118110	155.4
[M+HCOO]-	328.119051	185.6
[M+CH3COO]-	342.134701	206.4
[M+Na-2H]-	304.095516	171.3
[M]+	283.12030142	169.0
[M]-	283.12139858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe