CID 492810

2-[(3-bromophenyl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C11H10BrN3S
SMILES
C1=CC(=CC(=C1)Br)CSC2=NC=CC(=N2)N
InChI
InChI=1S/C11H10BrN3S/c12-9-3-1-2-8(6-9)7-16-11-14-5-4-10(13)15-11/h1-6H,7H2,(H2,13,14,15)
InChIKey
LENRSFSADDLPRJ-UHFFFAOYSA-N
Compound name
2-[(3-bromophenyl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

294.97787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98515 145.2
[M+Na]+ 317.96709 157.8
[M-H]- 293.97059 151.9
[M+NH4]+ 313.01169 162.3
[M+K]+ 333.94103 144.1
[M+H-H2O]+ 277.97513 143.8
[M+HCOO]- 339.97607 161.4
[M+CH3COO]- 353.99172 159.4
[M+Na-2H]- 315.95254 152.0
[M]+ 294.97732 164.4
[M]- 294.97842 164.4
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