CID 37233

35689-39-5

Structural Information

Molecular Formula
C17H21Br2NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C2=CC(=C(C(=C2O1)Br)OC)Br)C
InChI
InChI=1S/C17H21Br2NO4/c1-5-20(6-2)7-8-23-17(21)14-10(3)11-9-12(18)16(22-4)13(19)15(11)24-14/h9H,5-8H2,1-4H3
InChIKey
WBZNPGMWRPBCQZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.98373 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.99101 184.7
[M+Na]+ 483.97295 195.0
[M-H]- 459.97645 193.6
[M+NH4]+ 479.01755 200.4
[M+K]+ 499.94689 181.5
[M+H-H2O]+ 443.98099 190.5
[M+HCOO]- 505.98193 200.4
[M+CH3COO]- 519.99758 232.1
[M+Na-2H]- 481.95840 186.6
[M]+ 460.98318 226.1
[M]- 460.98428 226.1
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.