CID 51031

70301-79-0

Structural Information

Molecular Formula
C15H19NO4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C(=C2)CN(C)C)O)C
InChI
InChI=1S/C15H19NO4/c1-5-19-15(18)14-9(2)20-13-6-10(8-16(3)4)12(17)7-11(13)14/h6-7,17H,5,8H2,1-4H3
InChIKey
LDUWQTQOMRXQRJ-UHFFFAOYSA-N
Compound name
ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 163.2
[M+Na]+ 300.120618 172.6
[M-H]- 276.124124 169.6
[M+NH4]+ 295.165223 181.4
[M+K]+ 316.094558 172.1
[M+H-H2O]+ 260.128660 157.3
[M+HCOO]- 322.129601 186.9
[M+CH3COO]- 336.145251 204.7
[M+Na-2H]- 298.106066 166.1
[M]+ 277.13085142 171.4
[M]- 277.13194858 171.4
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

patents stripe