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]+ 296.20088 173.0
[M+Na]+ 318.18282 179.6
[M-H]- 294.18632 182.2
[M+NH4]+ 313.22742 192.2
[M+K]+ 334.15676 176.8
[M+H-H2O]+ 278.19086 165.3
[M+HCOO]- 340.19180 195.3
[M+CH3COO]- 354.20745 209.8
[M+Na-2H]- 316.16827 177.0
[M]+ 295.19305 175.8
[M]- 295.19415 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.