CID 1958746

Brn 3634479

Structural Information

Molecular Formula
C28H28N2P2
SMILES
C1N(CP(CN(CP1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2P2/c1-5-13-25(14-6-1)29-21-31(27-17-9-3-10-18-27)23-30(26-15-7-2-8-16-26)24-32(22-29)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
KKDTXGTXBIRTIO-UHFFFAOYSA-N
Compound name
1,3,5,7-tetraphenyl-1,5,3,7-diazadiphosphocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

454.17276 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.18004 177.5
[M+Na]+ 477.16198 179.4
[M-H]- 453.16548 180.9
[M+NH4]+ 472.20658 179.5
[M+K]+ 493.13592 176.7
[M+H-H2O]+ 437.17002 167.8
[M+HCOO]- 499.17096 187.9
[M+CH3COO]- 513.18661 179.2
[M+Na-2H]- 475.14743 172.5
[M]+ 454.17221 173.7
[M]- 454.17331 173.7
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

patents stripe