CID 208658

Brn 1660244

Structural Information

Molecular Formula
C21H24BrNO2
SMILES
CCN(CC)CCOC(C1=CC=C(C=C1)Br)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C21H24BrNO2/c1-3-23(4-2)13-14-24-21(16-9-11-18(22)12-10-16)20-15-17-7-5-6-8-19(17)25-20/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKey
SVWLIZNYNRXWNU-UHFFFAOYSA-N
Compound name
2-[1-benzofuran-2-yl-(4-bromophenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09903 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10631 195.4
[M+Na]+ 424.08825 204.5
[M-H]- 400.09175 206.7
[M+NH4]+ 419.13285 211.9
[M+K]+ 440.06219 194.4
[M+H-H2O]+ 384.09629 193.1
[M+HCOO]- 446.09723 216.5
[M+CH3COO]- 460.11288 223.0
[M+Na-2H]- 422.07370 198.8
[M]+ 401.09848 219.8
[M]- 401.09958 219.8
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.