CID 114388

10565-62-5

Structural Information

Molecular Formula
C18H21NO
SMILES
CNCCCC1(C2=CC=CC=C2CO1)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-19-13-7-12-18(16-9-3-2-4-10-16)17-11-6-5-8-15(17)14-20-18/h2-6,8-11,19H,7,12-14H2,1H3
InChIKey
IODDIRNVZLCLED-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-phenyl-3H-2-benzofuran-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.1
[M+Na]+ 290.15154 177.5
[M+NH4]+ 285.19614 175.3
[M+K]+ 306.12548 168.4
[M-H]- 266.15504 171.2
[M+Na-2H]- 288.13699 173.4
[M]+ 267.16177 168.3
[M]- 267.16287 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.