CID 200842

Brn 0923182

Structural Information

Molecular Formula
C9H13ClN5OP
SMILES
CC1=CC(=NC(=N1)Cl)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C9H13ClN5OP/c1-7-6-8(12-9(10)11-7)13-17(16,14-2-3-14)15-4-5-15/h6H,2-5H2,1H3,(H,11,12,13,16)
InChIKey
DUXANZXVZMLVNY-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2-chloro-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.05463 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06191 142.3
[M+Na]+ 296.04385 155.3
[M+NH4]+ 291.08845 148.9
[M+K]+ 312.01779 154.3
[M-H]- 272.04735 155.4
[M+Na-2H]- 294.02930 153.8
[M]+ 273.05408 149.8
[M]- 273.05518 149.8
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.