CID 3047904

63868-73-5

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-16-18-12-7-8-13-19(18)20(22-16,14-9-15-21(2)3)17-10-5-4-6-11-17/h4-8,10-13,16H,9,14-15H2,1-3H3
InChIKey
MSAVOICKGFENDI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(3-methyl-1-phenyl-3H-2-benzofuran-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 173.0
[M+Na]+ 318.182818 179.6
[M-H]- 294.186324 182.2
[M+NH4]+ 313.227423 192.2
[M+K]+ 334.156758 176.8
[M+H-H2O]+ 278.190860 165.3
[M+HCOO]- 340.191801 195.3
[M+CH3COO]- 354.207451 209.8
[M+Na-2H]- 316.168266 177.0
[M]+ 295.19305142 175.8
[M]- 295.19414858 175.8
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.