CID 37225

35689-10-2

Structural Information

Molecular Formula
C17H22BrNO4
SMILES
CCN(CC)CCOC(=O)C1=C(C2=CC(=C(C=C2O1)OC)Br)C
InChI
InChI=1S/C17H22BrNO4/c1-5-19(6-2)7-8-22-17(20)16-11(3)12-9-13(18)15(21-4)10-14(12)23-16/h9-10H,5-8H2,1-4H3
InChIKey
ZNSJJBWTPPGWAV-UHFFFAOYSA-N
Compound name
2-(diethylamino)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

383.0732 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.080476 185.2
[M+Na]+ 406.062418 196.6
[M-H]- 382.065924 194.5
[M+NH4]+ 401.107023 203.3
[M+K]+ 422.036358 187.7
[M+H-H2O]+ 366.070460 183.7
[M+HCOO]- 428.071401 206.7
[M+CH3COO]- 442.087051 220.8
[M+Na-2H]- 404.047866 187.9
[M]+ 383.07265142 213.4
[M]- 383.07374858 213.4
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.