CID 114378

10565-55-6

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=CC=C3)C
InChI
InChI=1S/C21H27NO/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/h5-9,11-14H,10,15-16H2,1-4H3
InChIKey
JMKKUONSGMKXDD-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 176.1
[M+Na]+ 332.19848 183.3
[M-H]- 308.20198 185.5
[M+NH4]+ 327.24308 196.8
[M+K]+ 348.17242 180.6
[M+H-H2O]+ 292.20652 168.6
[M+HCOO]- 354.20746 198.1
[M+CH3COO]- 368.22311 212.4
[M+Na-2H]- 330.18393 180.8
[M]+ 309.20871 179.6
[M]- 309.20981 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.