CID 510558

4-(3-amino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C15H19NO4
SMILES
CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCN)C
InChI
InChI=1S/C15H19NO4/c1-3-18-15(17)14-10(2)13-11(19-9-5-8-16)6-4-7-12(13)20-14/h4,6-7H,3,5,8-9,16H2,1-2H3
InChIKey
HIHRMYSJHGTRTJ-UHFFFAOYSA-N
Compound name
ethyl 4-(3-aminopropoxy)-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

277.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.6
[M+Na]+ 300.12062 172.4
[M-H]- 276.12412 169.0
[M+NH4]+ 295.16522 181.3
[M+K]+ 316.09456 171.0
[M+H-H2O]+ 260.12866 157.2
[M+HCOO]- 322.12960 187.7
[M+CH3COO]- 336.14525 201.9
[M+Na-2H]- 298.10607 167.3
[M]+ 277.13085 171.0
[M]- 277.13195 171.0
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

patents stripe