CID 199302

Dtxsid80193000

Structural Information

Molecular Formula
C11H24N9P3
SMILES
CNP1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N5CC5)N6CC6
InChI
InChI=1S/C11H24N9P3/c1-12-21(16-2-3-16)13-22(17-4-5-17,18-6-7-18)15-23(14-21,19-8-9-19)20-10-11-20/h12H,2-11H2,1H3
InChIKey
ABJJLHFLYXSYFL-UHFFFAOYSA-N
Compound name
2,4,4,6,6-pentakis(aziridin-1-yl)-N-methyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

375.13675 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14403 228.2
[M+Na]+ 398.12597 222.8
[M-H]- 374.12947 226.8
[M+NH4]+ 393.17057 218.9
[M+K]+ 414.09991 227.2
[M+H-H2O]+ 358.13401 224.3
[M+HCOO]- 420.13495 232.2
[M+CH3COO]- 434.15060 222.2
[M+Na-2H]- 396.11142 215.5
[M]+ 375.13620 227.1
[M]- 375.13730 227.1
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

patents stripe