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]+ 294.007276 179.5
[M+Na]+ 315.989218 187.8
[M-H]- 291.992724 181.7
[M+NH4]+ 311.033823 180.6
[M+K]+ 331.963158 181.8
[M+H-H2O]+ 275.997260 169.1
[M+HCOO]- 337.998201 192.4
[M+CH3COO]- 352.013851 209.7
[M+Na-2H]- 313.974666 179.2
[M]+ 292.99945142 183.8
[M]- 293.00054858 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.