CID 199157

3776-19-0

Structural Information

Molecular Formula
C12H28N9P3
SMILES
CN(C)P1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N5CC5)N(C)C
InChI
InChI=1S/C12H28N9P3/c1-16(2)22(17(3)4)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h5-12H2,1-4H3
InChIKey
VPHYMYNRQHFJDP-UHFFFAOYSA-N
Compound name
4,4,6,6-tetrakis(aziridin-1-yl)-2-N,2-N,2-N',2-N'-tetramethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2-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 234.3
[M+Na]+ 414.15728 231.4
[M-H]- 390.16078 235.0
[M+NH4]+ 409.20188 226.2
[M+K]+ 430.13122 235.4
[M+H-H2O]+ 374.16532 227.9
[M+HCOO]- 436.16626 245.2
[M+CH3COO]- 450.18191 244.2
[M+Na-2H]- 412.14273 222.6
[M]+ 391.16751 236.4
[M]- 391.16861 236.4
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