CID 199167

3796-00-7

Structural Information

Molecular Formula
C15H30N9P3
SMILES
C1CCN(CC1)P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7
InChI
InChI=1S/C15H30N9P3/c1-2-4-19(5-3-1)25(20-6-7-20)16-26(21-8-9-21,22-10-11-22)18-27(17-25,23-12-13-23)24-14-15-24/h1-15H2
InChIKey
JKEKXOUDRMKHFD-UHFFFAOYSA-N
Compound name
2,2,4,4,6-pentakis(aziridin-1-yl)-6-piperidin-1-yl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

429.18372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.19100 234.7
[M+Na]+ 452.17294 228.5
[M-H]- 428.17644 233.0
[M+NH4]+ 447.21754 224.2
[M+K]+ 468.14688 233.4
[M+H-H2O]+ 412.18098 229.9
[M+HCOO]- 474.18192 236.7
[M+CH3COO]- 488.19757 227.7
[M+Na-2H]- 450.15839 220.4
[M]+ 429.18317 231.8
[M]- 429.18427 231.8
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