CID 3041767

K 9980

Structural Information

Molecular Formula

C₂₄H₂₈N₂O₅

SMILES

CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC(=O)C)CN4CCOCC4

InChI

InChI=1S/C24H28N2O5/c1-4-26(5-2)24-20(15-25-10-12-29-13-11-25)23(28)22-19-14-18(30-16(3)27)8-6-17(19)7-9-21(22)31-24/h6-9,14H,4-5,10-13,15H2,1-3H3

InChIKey

DXLGDDSGFPGQAC-UHFFFAOYSA-N

Compound name

[3-(diethylamino)-2-(morpholin-4-ylmethyl)-1-oxobenzo[f]chromen-9-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 424.19983 Da
Monoisotopic Mass: 3.1
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]+	425.207106	204.4
[M+Na]+	447.189048	210.7
[M-H]-	423.192554	213.5
[M+NH4]+	442.233653	212.3
[M+K]+	463.162988	209.8
[M+H-H2O]+	407.197090	193.0
[M+HCOO]-	469.198031	220.0
[M+CH3COO]-	483.213681	235.0
[M+Na-2H]-	445.174496	207.3
[M]+	424.19928142	210.3
[M]-	424.20037858	210.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.