CID 200929

Brn 0894228

Structural Information

Molecular Formula
C12H21N6OP
SMILES
CCN(CC)C1=NC(=NC=C1)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C12H21N6OP/c1-3-16(4-2)11-5-6-13-12(14-11)15-20(19,17-7-8-17)18-9-10-18/h5-6H,3-4,7-10H2,1-2H3,(H,13,14,15,19)
InChIKey
DRIVVDQAZIMKDV-UHFFFAOYSA-N
Compound name
2-N-[bis(aziridin-1-yl)phosphoryl]-4-N,4-N-diethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15146 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15874 149.6
[M+Na]+ 319.14068 160.6
[M+NH4]+ 314.18528 155.4
[M+K]+ 335.11462 160.3
[M-H]- 295.14418 163.1
[M+Na-2H]- 317.12613 160.7
[M]+ 296.15091 156.6
[M]- 296.15201 156.6
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

No patent data available for this compound.