CID 3070055

85684-42-0

Structural Information

Molecular Formula
C30H34N2P2
SMILES
C[P+]1(CN(C[P+](CN(C1)C2=CC=CC=C2)(C)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H34N2P2/c1-33(29-19-11-5-12-20-29)23-31(27-15-7-3-8-16-27)25-34(2,30-21-13-6-14-22-30)26-32(24-33)28-17-9-4-10-18-28/h3-22H,23-26H2,1-2H3/q+2
InChIKey
RVDPVDSZTMUDNH-UHFFFAOYSA-N
Compound name
3,7-dimethyl-1,3,5,7-tetraphenyl-1,5,3,7-diazadiphosphocane-3,7-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.21973 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.22701 201.0
[M+Na]+ 507.20895 207.0
[M+NH4]+ 502.25355 204.6
[M+K]+ 523.18289 201.9
[M-H]- 483.21245 204.9
[M+Na-2H]- 505.19440 204.9
[M]+ 484.21918 203.3
[M]- 484.22028 203.3
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.