CID 52843

2,2-dibenzyl-4-diethylaminomethyl-1,3-dioxolane hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCN(CC)CC1COC(O1)(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-3-23(4-2)17-21-18-24-22(25-21,15-19-11-7-5-8-12-19)16-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKey
CLWITICGDCEUFI-UHFFFAOYSA-N
Compound name
N-[(2,2-dibenzyl-1,3-dioxolan-4-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 185.9
[M+Na]+ 362.20904 189.5
[M-H]- 338.21254 196.9
[M+NH4]+ 357.25364 200.1
[M+K]+ 378.18298 188.3
[M+H-H2O]+ 322.21708 177.1
[M+HCOO]- 384.21802 206.8
[M+CH3COO]- 398.23367 215.4
[M+Na-2H]- 360.19449 188.6
[M]+ 339.21927 188.2
[M]- 339.22037 188.2
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.