CID 174790

Ethanone, 1,1'-(7-(2-(diethylamino)ethoxy)-4,6-benzofurandiyl)bis-, hydrochloride

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCN(CC)CCOC1=C(C=C(C2=C1OC=C2)C(=O)C)C(=O)C
InChI
InChI=1S/C18H23NO4/c1-5-19(6-2)8-10-23-18-16(13(4)21)11-15(12(3)20)14-7-9-22-17(14)18/h7,9,11H,5-6,8,10H2,1-4H3
InChIKey
BPWIUSRPXXECMQ-UHFFFAOYSA-N
Compound name
1-[6-acetyl-7-[2-(diethylamino)ethoxy]-1-benzofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 176.6
[M+Na]+ 340.15194 184.1
[M-H]- 316.15544 183.4
[M+NH4]+ 335.19654 193.2
[M+K]+ 356.12588 183.6
[M+H-H2O]+ 300.15998 169.7
[M+HCOO]- 362.16092 199.9
[M+CH3COO]- 376.17657 215.6
[M+Na-2H]- 338.13739 177.7
[M]+ 317.16217 186.0
[M]- 317.16327 186.0
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.