CID 208656

2-((alpha-2-benzofuranylbenzyl)oxy)triethylamine

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCOC(C1=CC=CC=C1)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)14-15-23-21(17-10-6-5-7-11-17)20-16-18-12-8-9-13-19(18)24-20/h5-13,16,21H,3-4,14-15H2,1-2H3
InChIKey
ASCQFGNYZGITFG-UHFFFAOYSA-N
Compound name
2-[1-benzofuran-2-yl(phenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.6
[M+Na]+ 346.17776 186.3
[M-H]- 322.18126 189.7
[M+NH4]+ 341.22236 196.2
[M+K]+ 362.15170 183.9
[M+H-H2O]+ 306.18580 172.0
[M+HCOO]- 368.18674 204.5
[M+CH3COO]- 382.20239 214.4
[M+Na-2H]- 344.16321 184.5
[M]+ 323.18799 186.7
[M]- 323.18909 186.7
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.