CID 38289

39543-88-9

Structural Information

Molecular Formula
C17H23NO5
SMILES
CCOC(=O)C1=CC2=C(O1)C(=CC=C2)OCC(CNC(C)C)O
InChI
InChI=1S/C17H23NO5/c1-4-21-17(20)15-8-12-6-5-7-14(16(12)23-15)22-10-13(19)9-18-11(2)3/h5-8,11,13,18-19H,4,9-10H2,1-3H3
InChIKey
NUUBJYUSRWUKGF-UHFFFAOYSA-N
Compound name
ethyl 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.15762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 175.4
[M+Na]+ 344.14684 184.4
[M+NH4]+ 339.19144 180.7
[M+K]+ 360.12078 182.4
[M-H]- 320.15034 176.6
[M+Na-2H]- 342.13229 177.1
[M]+ 321.15707 176.6
[M]- 321.15817 176.6
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

patents stripe