CID 114392

10565-64-7

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]+ 310.21654 177.7
[M+Na]+ 332.19848 183.8
[M-H]- 308.20198 186.7
[M+NH4]+ 327.24308 196.3
[M+K]+ 348.17242 180.8
[M+H-H2O]+ 292.20652 169.8
[M+HCOO]- 354.20746 199.6
[M+CH3COO]- 368.22311 212.8
[M+Na-2H]- 330.18393 181.2
[M]+ 309.20871 180.8
[M]- 309.20981 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.