CID 492824

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

Structural Information

Molecular Formula
C11H10BrClN4S
SMILES
CC1=CC(=NC=C1)CSC2=NC(=C(C(=N2)Cl)Br)N
InChI
InChI=1S/C11H10BrClN4S/c1-6-2-3-15-7(4-6)5-18-11-16-9(13)8(12)10(14)17-11/h2-4H,5H2,1H3,(H2,14,16,17)
InChIKey
RIOMKTKCQFUUJE-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-2-[(4-methylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.9498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95708 152.6
[M+Na]+ 366.93902 167.5
[M-H]- 342.94252 158.6
[M+NH4]+ 361.98362 167.9
[M+K]+ 382.91296 152.1
[M+H-H2O]+ 326.94706 151.5
[M+HCOO]- 388.94800 163.1
[M+CH3COO]- 402.96365 166.4
[M+Na-2H]- 364.92447 157.8
[M]+ 343.94925 174.6
[M]- 343.95035 174.6
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