CID 103514

Brn 1169794

Structural Information

Molecular Formula
C25H28NO2P
SMILES
C1COCCN1CCC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H28NO2P/c27-29(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25(22-10-4-1-5-11-22)16-17-26-18-20-28-21-19-26/h1-15,25H,16-21H2
InChIKey
GRUZSGIAOOBDNN-UHFFFAOYSA-N
Compound name
4-(3-diphenylphosphoryl-3-phenylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18576 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19304 201.7
[M+Na]+ 428.17498 202.0
[M-H]- 404.17848 209.6
[M+NH4]+ 423.21958 207.7
[M+K]+ 444.14892 197.6
[M+H-H2O]+ 388.18302 186.9
[M+HCOO]- 450.18396 220.5
[M+CH3COO]- 464.19961 222.0
[M+Na-2H]- 426.16043 200.9
[M]+ 405.18521 196.7
[M]- 405.18631 196.7
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.