CID 3058098

74607-64-0

Structural Information

Molecular Formula
C23H25N2OP
SMILES
C1N(CP(=O)(CN1CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H25N2OP/c26-27(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-27)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKey
CPTTVZPDNYTFSJ-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.17044 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17772 194.0
[M+Na]+ 399.15966 197.9
[M-H]- 375.16316 201.1
[M+NH4]+ 394.20426 203.8
[M+K]+ 415.13360 191.3
[M+H-H2O]+ 359.16770 178.2
[M+HCOO]- 421.16864 215.6
[M+CH3COO]- 435.18429 201.7
[M+Na-2H]- 397.14511 193.4
[M]+ 376.16989 189.1
[M]- 376.17099 189.1
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.