CID 114464

Dtxsid00926953

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(CC1(C2=CC=CC=C2C(O1)(C)C)C3=CC=CC=C3)CN(C)C
InChI
InChI=1S/C22H29NO/c1-17(16-23(4)5)15-22(18-11-7-6-8-12-18)20-14-10-9-13-19(20)21(2,3)24-22/h6-14,17H,15-16H2,1-5H3
InChIKey
FTGDAKZDZLWMSR-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 181.0
[M+Na]+ 346.214118 187.5
[M-H]- 322.217624 190.3
[M+NH4]+ 341.258723 201.1
[M+K]+ 362.188058 185.1
[M+H-H2O]+ 306.222160 173.7
[M+HCOO]- 368.223101 201.6
[M+CH3COO]- 382.238751 216.3
[M+Na-2H]- 344.199566 184.0
[M]+ 323.22435142 184.3
[M]- 323.22544858 184.3
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.