CID 44500

63446-01-5

Structural Information

Molecular Formula
C19H27NO6
SMILES
CCN(CC)CCOC(=O)C1=C(C2=CC(=C(C(=C2O1)OC)OC)OC)C
InChI
InChI=1S/C19H27NO6/c1-7-20(8-2)9-10-25-19(21)15-12(3)13-11-14(22-4)17(23-5)18(24-6)16(13)26-15/h11H,7-10H2,1-6H3
InChIKey
YRSHCYKBTOMHCU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18384 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19112 186.8
[M+Na]+ 388.17306 195.2
[M-H]- 364.17656 194.0
[M+NH4]+ 383.21766 202.1
[M+K]+ 404.14700 196.1
[M+H-H2O]+ 348.18110 179.7
[M+HCOO]- 410.18204 210.8
[M+CH3COO]- 424.19769 224.6
[M+Na-2H]- 386.15851 187.6
[M]+ 365.18329 201.4
[M]- 365.18439 201.4
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.