CID 103512

51713-15-6

Structural Information

Molecular Formula
C25H28NOP
SMILES
C1CCN(C1)CCC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H28NOP/c27-28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25(22-12-4-1-5-13-22)18-21-26-19-10-11-20-26/h1-9,12-17,25H,10-11,18-21H2
InChIKey
UFKIWJNFTICCEW-UHFFFAOYSA-N
Compound name
1-(3-diphenylphosphoryl-3-phenylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.19086 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19814 197.6
[M+Na]+ 412.18008 198.8
[M-H]- 388.18358 205.7
[M+NH4]+ 407.22468 207.7
[M+K]+ 428.15402 192.7
[M+H-H2O]+ 372.18812 184.0
[M+HCOO]- 434.18906 219.6
[M+CH3COO]- 448.20471 219.2
[M+Na-2H]- 410.16553 194.5
[M]+ 389.19031 193.2
[M]- 389.19141 193.2
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.