CID 88853985

(2-((2,5-dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

Structural Information

Molecular Formula
C12H12Cl2N3OP
SMILES
CP(=O)(C)C1=CC=CC=C1NC2=NC(=NC=C2Cl)Cl
InChI
InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)
InChIKey
XIKUAKVCJMVXCI-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

315.0095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01678 166.7
[M+Na]+ 337.99872 177.0
[M-H]- 314.00222 169.6
[M+NH4]+ 333.04332 180.5
[M+K]+ 353.97266 170.7
[M+H-H2O]+ 298.00676 156.9
[M+HCOO]- 360.00770 183.9
[M+CH3COO]- 374.02335 206.3
[M+Na-2H]- 335.98417 169.6
[M]+ 315.00895 170.8
[M]- 315.01005 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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