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]+ 316.26351 179.6
[M+Na]+ 338.24545 183.7
[M-H]- 314.24895 187.7
[M+NH4]+ 333.29005 199.8
[M+K]+ 354.21939 181.4
[M+H-H2O]+ 298.25349 172.3
[M+HCOO]- 360.25443 197.1
[M+CH3COO]- 374.27008 213.5
[M+Na-2H]- 336.23090 181.4
[M]+ 315.25568 178.7
[M]- 315.25678 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.