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 176.8
[M+Na]+ 344.14684 182.4
[M-H]- 320.15034 180.6
[M+NH4]+ 339.19144 191.5
[M+K]+ 360.12078 181.8
[M+H-H2O]+ 304.15488 170.0
[M+HCOO]- 366.15582 197.4
[M+CH3COO]- 380.17147 208.8
[M+Na-2H]- 342.13229 178.3
[M]+ 321.15707 183.7
[M]- 321.15817 183.7
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