CID 34686

3-(2-aminoethyl)-5-methoxy-2-phenylbenzofuran hydrochloride

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=CC2=C(C=C1)OC(=C2CCN)C3=CC=CC=C3
InChI
InChI=1S/C17H17NO2/c1-19-13-7-8-16-15(11-13)14(9-10-18)17(20-16)12-5-3-2-4-6-12/h2-8,11H,9-10,18H2,1H3
InChIKey
JXOVYTORIHTXJG-UHFFFAOYSA-N
Compound name
2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.7
[M+Na]+ 290.11514 170.4
[M-H]- 266.11864 169.5
[M+NH4]+ 285.15974 178.6
[M+K]+ 306.08908 166.8
[M+H-H2O]+ 250.12318 153.6
[M+HCOO]- 312.12412 186.0
[M+CH3COO]- 326.13977 174.2
[M+Na-2H]- 288.10059 166.6
[M]+ 267.12537 164.9
[M]- 267.12647 164.9
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.