CID 199155

Hexahydro-6-(dimethylamino)-2,2,4,4,6-pentakis(1-aziridinyl)-1,3,5,2,4,6-triazatriphosphorine

Structural Information

Molecular Formula
C12H26N9P3
SMILES
CN(C)P1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N5CC5)N6CC6
InChI
InChI=1S/C12H26N9P3/c1-16(2)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h3-12H2,1-2H3
InChIKey
LAWANPUVRVURFE-UHFFFAOYSA-N
Compound name
2,4,4,6,6-pentakis(aziridin-1-yl)-N,N-dimethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

389.1524 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15968 228.5
[M+Na]+ 412.14162 222.8
[M-H]- 388.14512 227.4
[M+NH4]+ 407.18622 219.1
[M+K]+ 428.11556 227.5
[M+H-H2O]+ 372.14966 224.4
[M+HCOO]- 434.15060 232.4
[M+CH3COO]- 448.16625 222.5
[M+Na-2H]- 410.12707 215.5
[M]+ 389.15185 227.7
[M]- 389.15295 227.7
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