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 197.6
[M+Na]+ 475.16344 197.3
[M-H]- 451.16694 202.6
[M+NH4]+ 470.20804 191.2
[M+K]+ 491.13738 186.0
[M+H-H2O]+ 435.17148 187.9
[M+HCOO]- 497.17242 213.7
[M+CH3COO]- 511.18807 224.6
[M+Na-2H]- 473.14889 194.0
[M]+ 452.17367 192.5
[M]- 452.17477 192.5
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.