CID 19378

3685-72-1

Structural Information

Molecular Formula
C27H29NO2
SMILES
C1CN(CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C27H29NO2/c29-27(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)30-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25-26H,16-21H2
InChIKey
QUMQGLDQGPDSTB-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)piperidin-4-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21982 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22710 200.1
[M+Na]+ 422.20904 200.5
[M-H]- 398.21254 208.6
[M+NH4]+ 417.25364 207.3
[M+K]+ 438.18298 194.5
[M+H-H2O]+ 382.21708 187.4
[M+HCOO]- 444.21802 215.1
[M+CH3COO]- 458.23367 206.6
[M+Na-2H]- 420.19449 199.8
[M]+ 399.21927 195.0
[M]- 399.22037 195.0
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.