CID 52845

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

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCN(CC)CC1COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO2/c1-3-21(4-2)15-19-16-22-20(23-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey
NONDZSBPNPJFFH-UHFFFAOYSA-N
Compound name
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.6
[M+Na]+ 334.17776 181.2
[M-H]- 310.18126 188.1
[M+NH4]+ 329.22236 192.0
[M+K]+ 350.15170 180.5
[M+H-H2O]+ 294.18580 168.3
[M+HCOO]- 356.18674 198.3
[M+CH3COO]- 370.20239 209.5
[M+Na-2H]- 332.16321 180.5
[M]+ 311.18799 178.3
[M]- 311.18909 178.3
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

patents stripe