CID 3043710

K 8406

Structural Information

Molecular Formula

C₁₈H₁₉NO₃

SMILES

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

InChI

InChI=1S/C18H19NO3/c1-4-19(5-2)17-11-15(20)18-14-10-13(21-3)8-6-12(14)7-9-16(18)22-17/h6-11H,4-5H2,1-3H3

InChIKey

ZCTRNBGVHBMJQR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.1365 Da
Monoisotopic Mass: 3.8
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]+	298.143776	167.8
[M+Na]+	320.125718	178.1
[M-H]-	296.129224	176.0
[M+NH4]+	315.170323	184.8
[M+K]+	336.099658	176.1
[M+H-H2O]+	280.133760	159.6
[M+HCOO]-	342.134701	191.5
[M+CH3COO]-	356.150351	211.8
[M+Na-2H]-	318.111166	175.8
[M]+	297.13595142	175.9
[M]-	297.13704858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe