CID 200875

2902-93-4

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCN(CC)C(C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-4-22(5-2)17(3)16-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,24H,4-5,16H2,1-3H3
InChIKey
DULUETYTNBOZNG-UHFFFAOYSA-N
Compound name
2-(diethylamino)propyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 184.6
[M+Na]+ 364.188318 186.9
[M-H]- 340.191824 190.1
[M+NH4]+ 359.232923 196.9
[M+K]+ 380.162258 184.7
[M+H-H2O]+ 324.196360 176.0
[M+HCOO]- 386.197301 203.9
[M+CH3COO]- 400.212951 215.4
[M+Na-2H]- 362.173766 186.6
[M]+ 341.19855142 186.6
[M]- 341.19964858 186.6
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.