CID 209255

Brn 6495167

Structural Information

Molecular Formula
C20H40N9O4P3
SMILES
C1CN1[P@]2(=N[P@@](=NP(=N2)(N3CCOCC3)N4CCOCC4)(N5CC5)N6CCOCC6)N7CCOCC7
InChI
InChI=1S/C20H40N9O4P3/c1-2-24(1)34(26-5-13-30-14-6-26)21-35(25-3-4-25,27-7-15-31-16-8-27)23-36(22-34,28-9-17-32-18-10-28)29-11-19-33-20-12-29/h1-20H2/t34-,35-/m1/s1
InChIKey
UPCKTKGCNDPHOE-VSJLXWSYSA-N
Compound name
4-[(2S,4R)-2,4-bis(aziridin-1-yl)-4,6,6-trimorpholin-4-yl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.24164 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.24892 260.5
[M+Na]+ 586.23086 257.8
[M-H]- 562.23436 262.4
[M+NH4]+ 581.27546 244.8
[M+K]+ 602.20480 264.1
[M+H-H2O]+ 546.23890 239.1
[M+HCOO]- 608.23984 264.2
[M+CH3COO]- 622.25549 255.8
[M+Na-2H]- 584.21631 244.4
[M]+ 563.24109 251.1
[M]- 563.24219 251.1
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.