CID 6338226

34180-19-3

Structural Information

Molecular Formula
C17H25N4O4P2
SMILES
C1CC(CN(C1)[P+](=O)OC2=CC=C(C=C2)OP(=O)(N3CC3)N4CC4)N5CC5
InChI
InChI=1S/C17H25N4O4P2/c22-26(19-7-1-2-15(14-19)18-8-9-18)24-16-3-5-17(6-4-16)25-27(23,20-10-11-20)21-12-13-21/h3-6,15H,1-2,7-14H2/q+1
InChIKey
CVVGJNPFVNMYRT-UHFFFAOYSA-N
Compound name
[3-(aziridin-1-yl)piperidin-1-yl]-[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1351 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14238 136.1
[M+Na]+ 434.12432 146.8
[M+NH4]+ 429.16892 141.6
[M+K]+ 450.09826 149.6
[M-H]- 410.12782 152.2
[M+Na-2H]- 432.10977 148.5
[M]+ 411.13455 144.2
[M]- 411.13565 144.2
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.