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 209.2
[M+Na]+ 434.12432 208.8
[M-H]- 410.12782 213.0
[M+NH4]+ 429.16892 200.9
[M+K]+ 450.09826 204.1
[M+H-H2O]+ 394.13236 200.7
[M+HCOO]- 456.13330 223.4
[M+CH3COO]- 470.14895 229.5
[M+Na-2H]- 432.10977 203.1
[M]+ 411.13455 208.8
[M]- 411.13565 208.8
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.