CID 15069032

Piperidin-4-yl 2,2-diphenylacetate hydrochloride

Structural Information

Molecular Formula
C19H21NO2
SMILES
C1CNCCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c21-19(22-17-11-13-20-14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2
InChIKey
RFAAOXVGACLKHF-UHFFFAOYSA-N
Compound name
piperidin-4-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

295.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.5
[M+Na]+ 318.14645 172.2
[M-H]- 294.14995 175.6
[M+NH4]+ 313.19105 182.0
[M+K]+ 334.12039 167.5
[M+H-H2O]+ 278.15449 160.6
[M+HCOO]- 340.15543 185.9
[M+CH3COO]- 354.17108 178.9
[M+Na-2H]- 316.13190 172.6
[M]+ 295.15668 163.6
[M]- 295.15778 163.6
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

patents stripe