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]+ 334.16490 177.9
[M+Na]+ 356.14684 185.5
[M-H]- 332.15034 185.6
[M+NH4]+ 351.19144 190.7
[M+K]+ 372.12078 185.2
[M+H-H2O]+ 316.15488 170.1
[M+HCOO]- 378.15582 195.5
[M+CH3COO]- 392.17147 209.8
[M+Na-2H]- 354.13229 179.7
[M]+ 333.15707 184.1
[M]- 333.15817 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.