CID 17978

2909-92-4

Structural Information

Molecular Formula
C22H27NO3
SMILES
CN1CCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C22H27NO3/c1-23-16-10-9-15-20(23)17-26-21(24)22(25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20H,9-10,15-17H2,1-2H3
InChIKey
PIJQYMCYYIXSJW-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 186.9
[M+Na]+ 376.188318 189.1
[M-H]- 352.191824 193.4
[M+NH4]+ 371.232923 197.1
[M+K]+ 392.162258 185.4
[M+H-H2O]+ 336.196360 176.4
[M+HCOO]- 398.197301 202.3
[M+CH3COO]- 412.212951 212.5
[M+Na-2H]- 374.173766 189.1
[M]+ 353.19855142 184.8
[M]- 353.19964858 184.8
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.