CID 103938

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

Structural Information

Molecular Formula
C31H32NO2P
SMILES
C1COCCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H32NO2P/c33-35(29-17-9-3-10-18-29,30-19-11-4-12-20-30)31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)21-22-32-23-25-34-26-24-32/h1-20H,21-26H2
InChIKey
JYVHGNCBJXKMSZ-UHFFFAOYSA-N
Compound name
4-(3-diphenylphosphoryl-3,3-diphenylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.21707 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.22435 220.9
[M+Na]+ 504.20629 220.2
[M-H]- 480.20979 230.8
[M+NH4]+ 499.25089 222.9
[M+K]+ 520.18023 214.6
[M+H-H2O]+ 464.21433 204.4
[M+HCOO]- 526.21527 237.6
[M+CH3COO]- 540.23092 225.5
[M+Na-2H]- 502.19174 221.1
[M]+ 481.21652 214.4
[M]- 481.21762 214.4
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.