CID 492720

4-amino-6-chloro-2-[2-(4-bromo)pyridylmethylthio]-pyrimidine

Structural Information

Molecular Formula
C10H8BrClN4S
SMILES
C1=CN=C(C=C1Br)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C10H8BrClN4S/c11-6-1-2-14-7(3-6)5-17-10-15-8(12)4-9(13)16-10/h1-4H,5H2,(H2,13,15,16)
InChIKey
MRWBKTKKIWQRPJ-UHFFFAOYSA-N
Compound name
2-[(4-bromopyridin-2-yl)methylsulfanyl]-6-chloropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

329.93417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94145 147.7
[M+Na]+ 352.92339 162.3
[M-H]- 328.92689 153.5
[M+NH4]+ 347.96799 163.3
[M+K]+ 368.89733 147.1
[M+H-H2O]+ 312.93143 146.7
[M+HCOO]- 374.93237 158.6
[M+CH3COO]- 388.94802 161.7
[M+Na-2H]- 350.90884 154.2
[M]+ 329.93362 169.1
[M]- 329.93472 169.1
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.