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 179.5
[M+Na]+ 315.98922 187.8
[M-H]- 291.99272 181.7
[M+NH4]+ 311.03382 180.6
[M+K]+ 331.96316 181.8
[M+H-H2O]+ 275.99726 169.1
[M+HCOO]- 337.99820 192.4
[M+CH3COO]- 352.01385 209.7
[M+Na-2H]- 313.97467 179.2
[M]+ 292.99945 183.8
[M]- 293.00055 183.8
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.