CID 6338227

34180-21-7

Structural Information

Molecular Formula
C20H30N4O4P2
SMILES
C1CCN(C(C1)N2CC2)[P+](=O)OC3=CC=C(C=C3)O[P+](=O)N4CCC(CC4)N5CC5
InChI
InChI=1S/C20H30N4O4P2/c25-29(23-11-8-17(9-12-23)21-13-14-21)27-18-4-6-19(7-5-18)28-30(26)24-10-2-1-3-20(24)22-15-16-22/h4-7,17,20H,1-3,8-16H2/q+2
InChIKey
ZUNIZFQEJHTZDD-UHFFFAOYSA-N
Compound name
[2-(aziridin-1-yl)piperidin-1-yl]-[4-[[4-(aziridin-1-yl)piperidin-1-yl]-oxophosphaniumyl]oxyphenoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.17422 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18150 171.1
[M+Na]+ 475.16344 184.5
[M+NH4]+ 470.20804 178.0
[M+K]+ 491.13738 184.9
[M-H]- 451.16694 188.3
[M+Na-2H]- 473.14889 182.5
[M]+ 452.17367 179.8
[M]- 452.17477 179.8
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.