CID 103946

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

Structural Information

Molecular Formula
C31H34NOP
SMILES
CCN(CC)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H34NOP/c1-3-32(4-2)26-25-31(27-17-9-5-10-18-27,28-19-11-6-12-20-28)34(33,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,3-4,25-26H2,1-2H3
InChIKey
IYFHDAJGRSOXDL-UHFFFAOYSA-N
Compound name
3-diphenylphosphoryl-N,N-diethyl-3,3-diphenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.2378 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24508 221.3
[M+Na]+ 490.22702 221.9
[M-H]- 466.23052 231.4
[M+NH4]+ 485.27162 228.0
[M+K]+ 506.20096 215.7
[M+H-H2O]+ 450.23506 206.4
[M+HCOO]- 512.23600 244.9
[M+CH3COO]- 526.25165 241.2
[M+Na-2H]- 488.21247 221.6
[M]+ 467.23725 220.7
[M]- 467.23835 220.7
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.