CID 114421

10588-99-5

Structural Information

Molecular Formula
C19H23NO
SMILES
CN(C)CCCC1(C2=CC=CC=C2CO1)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-20(2)14-8-13-19(17-10-4-3-5-11-17)18-12-7-6-9-16(18)15-21-19/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
RNMJRHMRVJNPGK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-phenyl-3H-2-benzofuran-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

281.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.3
[M+Na]+ 304.16720 181.7
[M+NH4]+ 299.21180 179.6
[M+K]+ 320.14114 172.9
[M-H]- 280.17070 175.7
[M+Na-2H]- 302.15265 177.6
[M]+ 281.17743 172.6
[M]- 281.17853 172.6
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

patents stripe