CID 103513

Brn 1601295

Structural Information

Molecular Formula
C26H30NOP
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30NOP/c28-29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26(23-13-5-1-6-14-23)19-22-27-20-11-4-12-21-27/h1-3,5-10,13-18,26H,4,11-12,19-22H2
InChIKey
RSZZRMNMNCTTKP-UHFFFAOYSA-N
Compound name
1-(3-diphenylphosphoryl-3-phenylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.2065 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.21378 201.8
[M+Na]+ 426.19572 201.6
[M-H]- 402.19922 208.8
[M+NH4]+ 421.24032 209.2
[M+K]+ 442.16966 195.2
[M+H-H2O]+ 386.20376 187.0
[M+HCOO]- 448.20470 221.0
[M+CH3COO]- 462.22035 222.7
[M+Na-2H]- 424.18117 199.9
[M]+ 403.20595 195.3
[M]- 403.20705 195.3
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.