CID 42023

5-methoxy-2-(morpholinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H21NO5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCOCC3
InChI
InChI=1S/C17H21NO5/c1-3-22-17(19)16-13-10-12(20-2)4-5-14(13)23-15(16)11-18-6-8-21-9-7-18/h4-5,10H,3,6-9,11H2,1-2H3
InChIKey
BVCZCUNFEILSMQ-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

319.14197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 173.0
[M+Na]+ 342.13119 180.0
[M-H]- 318.13469 180.4
[M+NH4]+ 337.17579 186.0
[M+K]+ 358.10513 179.9
[M+H-H2O]+ 302.13923 165.1
[M+HCOO]- 364.14017 190.9
[M+CH3COO]- 378.15582 205.6
[M+Na-2H]- 340.11664 176.0
[M]+ 319.14142 178.4
[M]- 319.14252 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.