CID 42024

56879-64-2

Structural Information

Molecular Formula
C15H18ClNO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Cl)C
InChI
InChI=1S/C15H18ClNO4/c1-5-20-15(19)12-8(2)21-11-6-10(16)14(18)9(13(11)12)7-17(3)4/h6,18H,5,7H2,1-4H3
InChIKey
UBMIKLUSHCSWBA-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

311.09244 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09972 170.1
[M+Na]+ 334.08166 181.2
[M-H]- 310.08516 176.7
[M+NH4]+ 329.12626 188.2
[M+K]+ 350.05560 178.9
[M+H-H2O]+ 294.08970 165.3
[M+HCOO]- 356.09064 189.2
[M+CH3COO]- 370.10629 209.7
[M+Na-2H]- 332.06711 171.8
[M]+ 311.09189 180.9
[M]- 311.09299 180.9
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

No patent data available for this compound.