CID 57171

97156-98-4

Structural Information

Molecular Formula
C27H29NO2
SMILES
C1CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H29NO2/c29-27(26(23-15-7-2-8-16-23)24-17-9-3-10-18-24)30-21-25(22-13-5-1-6-14-22)28-19-11-4-12-20-28/h1-3,5-10,13-18,25-26H,4,11-12,19-21H2
InChIKey
HTHMFEAEJXXJAU-UHFFFAOYSA-N
Compound name
(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21982 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22710 199.4
[M+Na]+ 422.20904 198.5
[M-H]- 398.21254 207.5
[M+NH4]+ 417.25364 206.1
[M+K]+ 438.18298 193.0
[M+H-H2O]+ 382.21708 186.7
[M+HCOO]- 444.21802 213.3
[M+CH3COO]- 458.23367 205.3
[M+Na-2H]- 420.19449 198.7
[M]+ 399.21927 193.2
[M]- 399.22037 193.2
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.