CID 199156

Brn 6009411

Structural Information

Molecular Formula
C10H20ClN8P3
SMILES
C1CN1P2(=NP(=NP(=N2)(N3CC3)Cl)(N4CC4)N5CC5)N6CC6
InChI
InChI=1S/C10H20ClN8P3/c11-20(15-1-2-15)12-21(16-3-4-16,17-5-6-17)14-22(13-20,18-7-8-18)19-9-10-19/h1-10H2
InChIKey
ABVWHUJMQISFHH-UHFFFAOYSA-N
Compound name
2,2,4,4,6-pentakis(aziridin-1-yl)-6-chloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.07123 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07851 223.1
[M+Na]+ 403.06045 217.6
[M-H]- 379.06395 221.3
[M+NH4]+ 398.10505 213.7
[M+K]+ 419.03439 222.4
[M+H-H2O]+ 363.06849 218.4
[M+HCOO]- 425.06943 225.3
[M+CH3COO]- 439.08508 217.1
[M+Na-2H]- 401.04590 210.3
[M]+ 380.07068 222.1
[M]- 380.07178 222.1
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.