CID 6328390

65012-72-8

Structural Information

Molecular Formula
C25H27NO3P
SMILES
C1CO[P+]2(OCCN1CCO2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H27NO3P/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-27-19-16-26(17-20-28-30)18-21-29-30/h1-15H,16-21H2/q+1
InChIKey
NODVOYXBOJDGFG-UHFFFAOYSA-N
Compound name
1-trityl-2,8,9-trioxa-5-aza-1-phosphoniabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17285 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18013 114.6
[M+Na]+ 443.16207 114.6
[M-H]- 419.16557 114.6
[M+NH4]+ 438.20667 114.6
[M+K]+ 459.13601 114.6
[M+H-H2O]+ 403.17011 114.5
[M+HCOO]- 465.17105 114.6
[M+CH3COO]- 479.18670 114.5
[M+Na-2H]- 441.14752 114.4
[M]+ 420.17230 114.6
[M]- 420.17340 114.6
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.