CID 218485

Brn 1158591

Structural Information

Molecular Formula
C18H23NO5
SMILES
CCOC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCOCC3)C)OCC
InChI
InChI=1S/C18H23NO5/c1-4-22-14-7-6-13-12(3)15(24-16(13)17(14)23-5-2)18(20)19-8-10-21-11-9-19/h6-7H,4-5,8-11H2,1-3H3
InChIKey
BXUHESQNDHQBSJ-UHFFFAOYSA-N
Compound name
(6,7-diethoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.164896 177.9
[M+Na]+ 356.146838 185.5
[M-H]- 332.150344 185.6
[M+NH4]+ 351.191443 190.7
[M+K]+ 372.120778 185.2
[M+H-H2O]+ 316.154880 170.1
[M+HCOO]- 378.155821 195.5
[M+CH3COO]- 392.171471 209.8
[M+Na-2H]- 354.132286 179.7
[M]+ 333.15707142 184.1
[M]- 333.15816858 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.