CID 103936

1-(1,1-diphenyl-3-piperidinopropyl)diphenylphosphine oxide hydrochloride

Structural Information

Molecular Formula
C32H34NOP
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H34NOP/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32(28-16-6-1-7-17-28,29-18-8-2-9-19-29)24-27-33-25-14-5-15-26-33/h1-4,6-13,16-23H,5,14-15,24-27H2
InChIKey
XAPXUFYDRDETQF-UHFFFAOYSA-N
Compound name
1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.2378 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.24508 221.5
[M+Na]+ 502.22702 220.2
[M-H]- 478.23052 230.5
[M+NH4]+ 497.27162 224.8
[M+K]+ 518.20096 212.4
[M+H-H2O]+ 462.23506 204.7
[M+HCOO]- 524.23600 238.4
[M+CH3COO]- 538.25165 225.6
[M+Na-2H]- 500.21247 220.6
[M]+ 479.23725 213.5
[M]- 479.23835 213.5
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.