CID 470535

6-chloro-2-[(3,5-dichlorophenyl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C11H8Cl3N3S
SMILES
C1=C(C=C(C=C1Cl)Cl)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H8Cl3N3S/c12-7-1-6(2-8(13)3-7)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)
InChIKey
YTXLOXIBLDHOBZ-UHFFFAOYSA-N
Compound name
6-chloro-2-[(3,5-dichlorophenyl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

318.95044 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.95772 161.3
[M+Na]+ 341.93966 172.6
[M-H]- 317.94316 163.9
[M+NH4]+ 336.98426 175.0
[M+K]+ 357.91360 164.9
[M+H-H2O]+ 301.94770 155.3
[M+HCOO]- 363.94864 164.0
[M+CH3COO]- 377.96429 171.8
[M+Na-2H]- 339.92511 162.3
[M]+ 318.94989 165.1
[M]- 318.95099 165.1
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

patents stripe