CID 200804

Phosphinic amide, p,p-bis(1-aziridinyl)-n-(2,6-dichloro-4-pyrimidinyl)-

Structural Information

Molecular Formula
C8H10Cl2N5OP
SMILES
C1CN1P(=O)(NC2=CC(=NC(=N2)Cl)Cl)N3CC3
InChI
InChI=1S/C8H10Cl2N5OP/c9-6-5-7(12-8(10)11-6)13-17(16,14-1-2-14)15-3-4-15/h5H,1-4H2,(H,11,12,13,16)
InChIKey
IOQALWRXZPVQDW-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2,6-dichloropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00728 141.8
[M+Na]+ 315.98922 155.2
[M+NH4]+ 311.03382 148.5
[M+K]+ 331.96316 153.8
[M-H]- 291.99272 154.4
[M+Na-2H]- 313.97467 153.3
[M]+ 292.99945 149.4
[M]- 293.00055 149.4
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

No patent data available for this compound.