CID 54589

Brn 1388538

Structural Information

Molecular Formula
C19H20BrNO
SMILES
CCN(CC)CC1=C(C2=C(O1)C=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C19H20BrNO/c1-3-21(4-2)13-18-19(14-8-6-5-7-9-14)16-12-15(20)10-11-17(16)22-18/h5-12H,3-4,13H2,1-2H3
InChIKey
ZLZINPAIXXXARB-UHFFFAOYSA-N
Compound name
N-[(5-bromo-3-phenyl-1-benzofuran-2-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0728 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08008 182.3
[M+Na]+ 380.06202 193.7
[M-H]- 356.06552 194.3
[M+NH4]+ 375.10662 201.0
[M+K]+ 396.03596 182.9
[M+H-H2O]+ 340.07006 180.6
[M+HCOO]- 402.07100 204.9
[M+CH3COO]- 416.08665 196.3
[M+Na-2H]- 378.04747 187.3
[M]+ 357.07225 205.8
[M]- 357.07335 205.8
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.