CID 3047902

63868-72-4

Structural Information

Molecular Formula
C21H33NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3CCCCC3)C
InChI
InChI=1S/C21H33NO/c1-20(2)18-13-8-9-14-19(18)21(23-20,15-10-16-22(3)4)17-11-6-5-7-12-17/h8-9,13-14,17H,5-7,10-12,15-16H2,1-4H3
InChIKey
YFWSLZRNQYIVFI-UHFFFAOYSA-N
Compound name
3-(1-cyclohexyl-3,3-dimethyl-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.25623 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.263506 179.6
[M+Na]+ 338.245448 183.7
[M-H]- 314.248954 187.7
[M+NH4]+ 333.290053 199.8
[M+K]+ 354.219388 181.4
[M+H-H2O]+ 298.253490 172.3
[M+HCOO]- 360.254431 197.1
[M+CH3COO]- 374.270081 213.5
[M+Na-2H]- 336.230896 181.4
[M]+ 315.25568142 178.7
[M]- 315.25677858 178.7
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.