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 163.0
[M+Na]+ 290.15154 169.5
[M-H]- 266.15504 170.8
[M+NH4]+ 285.19614 182.4
[M+K]+ 306.12548 165.8
[M+H-H2O]+ 250.15958 155.6
[M+HCOO]- 312.16052 185.6
[M+CH3COO]- 326.17617 175.1
[M+Na-2H]- 288.13699 169.7
[M]+ 267.16177 163.6
[M]- 267.16287 163.6
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.