CID 114392

Dtxsid30909653

Structural Information

Molecular Formula
C21H27NO
SMILES
CCC1C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-4-20-18-13-8-9-14-19(18)21(23-20,15-10-16-22(2)3)17-11-6-5-7-12-17/h5-9,11-14,20H,4,10,15-16H2,1-3H3
InChIKey
TYRPKNQQQDQTPG-UHFFFAOYSA-N
Compound name
3-(3-ethyl-1-phenyl-3H-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.7
[M+Na]+ 332.198478 183.8
[M-H]- 308.201984 186.7
[M+NH4]+ 327.243083 196.3
[M+K]+ 348.172418 180.8
[M+H-H2O]+ 292.206520 169.8
[M+HCOO]- 354.207461 199.6
[M+CH3COO]- 368.223111 212.8
[M+Na-2H]- 330.183926 181.2
[M]+ 309.20871142 180.8
[M]- 309.20980858 180.8
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.