CID 103948

Phosphine oxide, diphenyl((1,1-diphenyl-3-pyrrolidinyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C31H32NOP
SMILES
C1CCN(C1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H32NOP/c33-34(29-19-9-3-10-20-29,30-21-11-4-12-22-30)31(27-15-5-1-6-16-27,28-17-7-2-8-18-28)23-26-32-24-13-14-25-32/h1-12,15-22H,13-14,23-26H2
InChIKey
BAZHAUASKZMUAR-UHFFFAOYSA-N
Compound name
1-(3-diphenylphosphoryl-3,3-diphenylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.22214 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.22942 217.1
[M+Na]+ 488.21136 217.3
[M-H]- 464.21486 227.4
[M+NH4]+ 483.25596 223.3
[M+K]+ 504.18530 209.8
[M+H-H2O]+ 448.21940 201.9
[M+HCOO]- 510.22034 236.9
[M+CH3COO]- 524.23599 222.8
[M+Na-2H]- 486.19681 215.0
[M]+ 465.22159 211.4
[M]- 465.22269 211.4
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.