CID 24847119

1,3,5,2,4,6-triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2-(1-aziridinyl)-2,4,4,6,6-pentakis(methylamino)-

Structural Information

Molecular Formula
C7H24N9P3
SMILES
CNP1(=NP(=NP(=N1)(NC)N2CC2)(NC)NC)NC
InChI
InChI=1S/C7H24N9P3/c1-8-17(9-2)13-18(10-3,11-4)15-19(12-5,14-17)16-6-7-16/h8-12H,6-7H2,1-5H3
InChIKey
RZZKSSYMVXKVPS-UHFFFAOYSA-N
Compound name
6-(aziridin-1-yl)-2-N,2-N',4-N,4-N',6-N-pentamethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6-pentamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.13675 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14403 169.3
[M+Na]+ 350.12597 176.2
[M-H]- 326.12947 169.2
[M+NH4]+ 345.17057 179.3
[M+K]+ 366.09991 175.5
[M+H-H2O]+ 310.13401 156.8
[M+HCOO]- 372.13495 206.8
[M+CH3COO]- 386.15060 224.8
[M+Na-2H]- 348.11142 173.4
[M]+ 327.13620 172.6
[M]- 327.13730 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.