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 195.6
[M+Na]+ 319.14068 201.5
[M-H]- 295.14418 199.8
[M+NH4]+ 314.18528 195.8
[M+K]+ 335.11462 197.1
[M+H-H2O]+ 279.14872 184.5
[M+HCOO]- 341.14966 217.5
[M+CH3COO]- 355.16531 218.8
[M+Na-2H]- 317.12613 195.0
[M]+ 296.15091 199.6
[M]- 296.15201 199.6
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.