CID 215426

35685-99-5

Structural Information

Molecular Formula

C₁₈H₂₃NO₅

SMILES

CCN(CC)CCOC(=O)C1=C(C2=C(O1)C3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H23NO5/c1-4-19(5-2)8-9-23-18(20)15-12(3)13-6-7-14-17(16(13)24-15)22-11-10-21-14/h6-7H,4-5,8-11H2,1-3H3

InChIKey

SODVEITUGPNSOF-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 7-methyl-2,3-dihydrofuro[3,2-h][1,4]benzodioxine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.15762 Da
Monoisotopic Mass: 3.4
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]+	334.164896	180.3
[M+Na]+	356.146838	187.4
[M-H]-	332.150344	188.8
[M+NH4]+	351.191443	194.5
[M+K]+	372.120778	189.0
[M+H-H2O]+	316.154880	173.6
[M+HCOO]-	378.155821	199.4
[M+CH3COO]-	392.171471	216.1
[M+Na-2H]-	354.132286	184.8
[M]+	333.15707142	189.4
[M]-	333.15816858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.