CID 37231

35689-37-3

Structural Information

Molecular Formula
C15H18BrNO4
SMILES
CC1=C(OC2=CC(=C(C=C12)Br)OC)C(=O)OCCN(C)C
InChI
InChI=1S/C15H18BrNO4/c1-9-10-7-11(16)13(19-4)8-12(10)21-14(9)15(18)20-6-5-17(2)3/h7-8H,5-6H2,1-4H3
InChIKey
VUGBENJSLPUIFU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.04193 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04921 175.6
[M+Na]+ 378.03115 187.8
[M-H]- 354.03465 185.2
[M+NH4]+ 373.07575 194.7
[M+K]+ 394.00509 179.3
[M+H-H2O]+ 338.03919 174.4
[M+HCOO]- 400.04013 197.8
[M+CH3COO]- 414.05578 215.3
[M+Na-2H]- 376.01660 179.4
[M]+ 355.04138 203.1
[M]- 355.04248 203.1
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

No patent data available for this compound.