CID 57173

97157-06-7

Structural Information

Molecular Formula
C27H29NO3
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H29NO3/c29-26(27(30,23-15-7-2-8-16-23)24-17-9-3-10-18-24)31-25(22-13-5-1-6-14-22)21-28-19-11-4-12-20-28/h1-3,5-10,13-18,25,30H,4,11-12,19-21H2
InChIKey
QAUMAMIOYIZEHF-UHFFFAOYSA-N
Compound name
(1-phenyl-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.21475 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.22203 201.2
[M+Na]+ 438.20397 200.5
[M-H]- 414.20747 208.3
[M+NH4]+ 433.24857 206.8
[M+K]+ 454.17791 195.1
[M+H-H2O]+ 398.21201 189.2
[M+HCOO]- 460.21295 213.3
[M+CH3COO]- 474.22860 220.8
[M+Na-2H]- 436.18942 202.4
[M]+ 415.21420 194.9
[M]- 415.21530 194.9
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.