CID 103511

51713-14-5

Structural Information

Molecular Formula
C25H30NOP
SMILES
CCN(CC)CCC(C1=CC=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H30NOP/c1-3-26(4-2)21-20-25(22-14-8-5-9-15-22)28(27,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25H,3-4,20-21H2,1-2H3
InChIKey
JJNGODFAERXCHU-UHFFFAOYSA-N
Compound name
3-diphenylphosphoryl-N,N-diethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.2065 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21378 201.4
[M+Na]+ 414.19572 203.0
[M-H]- 390.19922 209.3
[M+NH4]+ 409.24032 212.1
[M+K]+ 430.16966 198.3
[M+H-H2O]+ 374.20376 188.3
[M+HCOO]- 436.20470 227.1
[M+CH3COO]- 450.22035 228.3
[M+Na-2H]- 412.18117 200.5
[M]+ 391.20595 202.2
[M]- 391.20705 202.2
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.