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 193.7
[M+Na]+ 507.20895 195.6
[M-H]- 483.21245 197.5
[M+NH4]+ 502.25355 196.5
[M+K]+ 523.18289 188.8
[M+H-H2O]+ 467.21699 185.5
[M+HCOO]- 529.21793 203.1
[M+CH3COO]- 543.23358 241.2
[M+Na-2H]- 505.19440 190.3
[M]+ 484.21918 189.4
[M]- 484.22028 189.4
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.