CID 3070372

86384-16-9

Structural Information

Molecular Formula
C18H36N9P3
SMILES
C1CCN(CC1)P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CCCCC7
InChI
InChI=1S/C18H36N9P3/c1-3-7-22(8-4-1)28(23-9-5-2-6-10-23)19-29(24-11-12-24,25-13-14-25)21-30(20-28,26-15-16-26)27-17-18-27/h1-18H2
InChIKey
OPDFYFLDZCPPPI-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrakis(aziridin-1-yl)-6,6-di(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

4
Patents

471.23065 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23793 252.4
[M+Na]+ 494.21987 247.3
[M-H]- 470.22337 251.1
[M+NH4]+ 489.26447 240.6
[M+K]+ 510.19381 251.5
[M+H-H2O]+ 454.22791 243.4
[M+HCOO]- 516.22885 256.9
[M+CH3COO]- 530.24450 245.6
[M+Na-2H]- 492.20532 236.6
[M]+ 471.23010 247.6
[M]- 471.23120 247.6
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

patents stripe