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]+ 320.149246 173.0
[M+Na]+ 342.131188 180.0
[M-H]- 318.134694 180.4
[M+NH4]+ 337.175793 186.0
[M+K]+ 358.105128 179.9
[M+H-H2O]+ 302.139230 165.1
[M+HCOO]- 364.140171 190.9
[M+CH3COO]- 378.155821 205.6
[M+Na-2H]- 340.116636 176.0
[M]+ 319.14142142 178.4
[M]- 319.14251858 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.