CID 492791

6-chloro-2-[(4-chloro-2-pyridyl)methylsulfanyl]-5-fluoro-pyrimidin-4-amine

Structural Information

Molecular Formula
C10H7Cl2FN4S
SMILES
C1=CN=C(C=C1Cl)CSC2=NC(=C(C(=N2)Cl)F)N
InChI
InChI=1S/C10H7Cl2FN4S/c11-5-1-2-15-6(3-5)4-18-10-16-8(12)7(13)9(14)17-10/h1-3H,4H2,(H2,14,16,17)
InChIKey
XIEGLUYYGKGTEL-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-chloropyridin-2-yl)methylsulfanyl]-5-fluoropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.97525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98253 157.1
[M+Na]+ 326.96447 169.3
[M-H]- 302.96797 158.3
[M+NH4]+ 322.00907 170.0
[M+K]+ 342.93841 161.4
[M+H-H2O]+ 286.97251 148.9
[M+HCOO]- 348.97345 163.2
[M+CH3COO]- 362.98910 168.0
[M+Na-2H]- 324.94992 159.1
[M]+ 303.97470 160.0
[M]- 303.97580 160.0
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

patents stripe