CID 11436336

4,6-dichloro-2-(propylthio)pyrimidin-5-amine

Structural Information

Molecular Formula
C7H9Cl2N3S
SMILES
CCCSC1=NC(=C(C(=N1)Cl)N)Cl
InChI
InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3
InChIKey
CJJLJBFJNXMANZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-propylsulfanylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

236.98943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99671 144.1
[M+Na]+ 259.97865 155.1
[M-H]- 235.98215 144.7
[M+NH4]+ 255.02325 161.2
[M+K]+ 275.95259 149.1
[M+H-H2O]+ 219.98669 138.9
[M+HCOO]- 281.98763 151.9
[M+CH3COO]- 296.00328 190.4
[M+Na-2H]- 257.96410 145.9
[M]+ 236.98888 148.0
[M]- 236.98998 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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