CID 3070052

Brn 5169365

Structural Information

Molecular Formula
C28H28N2P2S2
SMILES
C1N(CP(=S)(CN(CP1(=S)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2P2S2/c33-31(27-17-9-3-10-18-27)21-29(25-13-5-1-6-14-25)22-32(34,28-19-11-4-12-20-28)24-30(23-31)26-15-7-2-8-16-26/h1-20H,21-24H2
InChIKey
DKZHGUKZHWZGOL-UHFFFAOYSA-N
Compound name
1,3,5,7-tetraphenyl-3,7-bis(sulfanylidene)-1,5,3lambda5,7lambda5-diazadiphosphocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.11694 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.12422 182.4
[M+Na]+ 541.10616 186.0
[M-H]- 517.10966 186.0
[M+NH4]+ 536.15076 185.7
[M+K]+ 557.08010 182.8
[M+H-H2O]+ 501.11420 173.4
[M+HCOO]- 563.11514 189.9
[M+CH3COO]- 577.13079 184.1
[M+Na-2H]- 539.09161 177.4
[M]+ 518.11639 179.5
[M]- 518.11749 179.5
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.