CID 44767

Dpx-8

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C1CCN(CC1)NCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H26N2O3/c24-20(26-17-14-22-23-15-8-3-9-16-23)21(25,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,22,25H,3,8-9,14-17H2
InChIKey
HVADSRWSDNYDQA-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 184.1
[M+Na]+ 377.18356 184.5
[M-H]- 353.18706 188.9
[M+NH4]+ 372.22816 192.9
[M+K]+ 393.15750 180.2
[M+H-H2O]+ 337.19160 173.8
[M+HCOO]- 399.19254 199.4
[M+CH3COO]- 413.20819 211.1
[M+Na-2H]- 375.16901 188.0
[M]+ 354.19379 178.8
[M]- 354.19489 178.8
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.