CID 3046647

Brn 1664627

Structural Information

Molecular Formula
C27H36N2O2
SMILES
C1CCN(CC1)CC(CN2CCCCC2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H36N2O2/c30-27(26(23-13-5-1-6-14-23)24-15-7-2-8-16-24)31-25(21-28-17-9-3-10-18-28)22-29-19-11-4-12-20-29/h1-2,5-8,13-16,25-26H,3-4,9-12,17-22H2
InChIKey
PMKUJWAYASFVCU-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)propan-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.27768 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.28496 205.3
[M+Na]+ 443.26690 201.2
[M-H]- 419.27040 210.7
[M+NH4]+ 438.31150 209.5
[M+K]+ 459.24084 196.1
[M+H-H2O]+ 403.27494 191.5
[M+HCOO]- 465.27588 213.6
[M+CH3COO]- 479.29153 208.9
[M+Na-2H]- 441.25235 201.8
[M]+ 420.27713 195.4
[M]- 420.27823 195.4
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.