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

15
Patents

294.97787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.985146 145.2
[M+Na]+ 317.967088 157.8
[M-H]- 293.970594 151.9
[M+NH4]+ 313.011693 162.3
[M+K]+ 333.941028 144.1
[M+H-H2O]+ 277.975130 143.8
[M+HCOO]- 339.976071 161.4
[M+CH3COO]- 353.991721 159.4
[M+Na-2H]- 315.952536 152.0
[M]+ 294.97732142 164.4
[M]- 294.97841858 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