CID 3070051

Brn 5169364

Structural Information

Molecular Formula
C28H28N2O2P2
SMILES
C1N(CP(=O)(CN(CP1(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2O2P2/c31-33(27-17-9-3-10-18-27)21-29(25-13-5-1-6-14-25)22-34(32,28-19-11-4-12-20-28)24-30(23-33)26-15-7-2-8-16-26/h1-20H,21-24H2
InChIKey
HKVBMBRSNCQXBN-UHFFFAOYSA-N
Compound name
1,3,5,7-tetraphenyl-1,5,3lambda5,7lambda5-diazadiphosphocane 3,7-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1626 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.16988 191.1
[M+Na]+ 509.15182 194.0
[M-H]- 485.15532 194.9
[M+NH4]+ 504.19642 194.1
[M+K]+ 525.12576 191.8
[M+H-H2O]+ 469.15986 180.8
[M+HCOO]- 531.16080 201.6
[M+CH3COO]- 545.17645 192.5
[M+Na-2H]- 507.13727 186.0
[M]+ 486.16205 187.9
[M]- 486.16315 187.9
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.