CID 13483

2-(diethylamino)ethyl 2-chloro-2,2-diphenylacetate

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl
InChI
InChI=1S/C20H24ClNO2/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
ZASSLOPXOOJHFR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

118
Patents

345.14957 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 184.0
[M+Na]+ 368.13879 188.5
[M-H]- 344.14229 190.8
[M+NH4]+ 363.18339 197.9
[M+K]+ 384.11273 184.1
[M+H-H2O]+ 328.14683 175.9
[M+HCOO]- 390.14777 201.3
[M+CH3COO]- 404.16342 215.6
[M+Na-2H]- 366.12424 187.5
[M]+ 345.14902 189.0
[M]- 345.15012 189.0
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.