CID 3058096

Brn 5108870

Structural Information

Molecular Formula
C21H21N2OP
SMILES
C1N(CP(=O)(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H21N2OP/c24-25(21-14-8-3-9-15-21)17-22(19-10-4-1-5-11-19)16-23(18-25)20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKey
TVPFCSBARKSLCV-UHFFFAOYSA-N
Compound name
1,3,5-triphenyl-1,3,5lambda5-diazaphosphinane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13916 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14644 185.2
[M+Na]+ 371.12838 190.1
[M-H]- 347.13188 192.7
[M+NH4]+ 366.17298 196.2
[M+K]+ 387.10232 183.9
[M+H-H2O]+ 331.13642 169.9
[M+HCOO]- 393.13736 207.5
[M+CH3COO]- 407.15301 193.8
[M+Na-2H]- 369.11383 185.6
[M]+ 348.13861 179.7
[M]- 348.13971 179.7
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

patents stripe