CID 199158

3776-20-3

Structural Information

Molecular Formula
C12H28N9P3
SMILES
CN(C)P1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N(C)C)N5CC5
InChI
InChI=1S/C12H28N9P3/c1-16(2)22(18-5-6-18)13-23(17(3)4,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h5-12H2,1-4H3
InChIKey
QHGDRCKEZYQEMT-UHFFFAOYSA-N
Compound name
2,4,6,6-tetrakis(aziridin-1-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

391.16806 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17534 115.1
[M+Na]+ 414.15728 122.9
[M+NH4]+ 409.20188 120.6
[M+K]+ 430.13122 125.2
[M-H]- 390.16078 128.5
[M+Na-2H]- 412.14273 128.1
[M]+ 391.16751 121.9
[M]- 391.16861 121.9
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

patents stripe