CID 47775

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

Structural Information

Molecular Formula
C16H19NO5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCOCC3
InChI
InChI=1S/C16H19NO5/c1-2-21-16(19)15-12-9-11(18)3-4-13(12)22-14(15)10-17-5-7-20-8-6-17/h3-4,9,18H,2,5-8,10H2,1H3
InChIKey
YNJAGUHSSBYGQM-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1263 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 168.6
[M+Na]+ 328.11552 175.7
[M-H]- 304.11902 174.8
[M+NH4]+ 323.16012 181.5
[M+K]+ 344.08946 174.9
[M+H-H2O]+ 288.12356 161.1
[M+HCOO]- 350.12450 185.4
[M+CH3COO]- 364.14015 200.3
[M+Na-2H]- 326.10097 171.7
[M]+ 305.12575 171.9
[M]- 305.12685 171.9
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.