CID 115972

Beta-(beta-diethylaminoethoxy)ethyl benzhydryl ether

Structural Information

Molecular Formula
C21H29NO2
SMILES
CCN(CC)CCOCCOC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H29NO2/c1-3-22(4-2)15-16-23-17-18-24-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKey
YCBQIZCNFRPJKS-UHFFFAOYSA-N
Compound name
2-(2-benzhydryloxyethoxy)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.227096 183.5
[M+Na]+ 350.209038 185.8
[M-H]- 326.212544 189.8
[M+NH4]+ 345.253643 197.0
[M+K]+ 366.182978 183.1
[M+H-H2O]+ 310.217080 173.8
[M+HCOO]- 372.218021 206.4
[M+CH3COO]- 386.233671 216.0
[M+Na-2H]- 348.194486 186.0
[M]+ 327.21927142 187.6
[M]- 327.22036858 187.6
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.