CID 36505

K 8292

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C17H17NO2/c1-3-18(4-2)16-11-14(19)17-13-8-6-5-7-12(13)9-10-15(17)20-16/h5-11H,3-4H2,1-2H3

InChIKey

PRJLFICAFVGTKU-UHFFFAOYSA-N

Compound name

3-(diethylamino)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.12592 Da
Monoisotopic Mass: 3.9
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]+	268.13320	159.5
[M+Na]+	290.11514	169.5
[M-H]-	266.11864	167.6
[M+NH4]+	285.15974	177.5
[M+K]+	306.08908	167.0
[M+H-H2O]+	250.12318	151.6
[M+HCOO]-	312.12412	183.5
[M+CH3COO]-	326.13977	173.1
[M+Na-2H]-	288.10059	168.8
[M]+	267.12537	165.4
[M]-	267.12647	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe