CID 2783789

Brn 1020294

Structural Information

Molecular Formula
C23H25N2P
SMILES
C1N(CP(CN1CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H25N2P/c1-4-10-21(11-5-1)16-24-18-25(17-22-12-6-2-7-13-22)20-26(19-24)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKey
IBEQWAVMMWLFEI-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17554 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18282 190.8
[M+Na]+ 383.16476 193.4
[M-H]- 359.16826 197.2
[M+NH4]+ 378.20936 199.2
[M+K]+ 399.13870 186.2
[M+H-H2O]+ 343.17280 175.2
[M+HCOO]- 405.17374 211.8
[M+CH3COO]- 419.18939 198.1
[M+Na-2H]- 381.15021 189.1
[M]+ 360.17499 184.8
[M]- 360.17609 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.