CID 3025146

102207-67-0

Structural Information

Molecular Formula
C12H12BrN3O
SMILES
CC1=CC(=NC(=N1)COC2=CC=CC=C2Br)N
InChI
InChI=1S/C12H12BrN3O/c1-8-6-11(14)16-12(15-8)7-17-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKey
OYDWWRHDCHFLQF-UHFFFAOYSA-N
Compound name
2-[(2-bromophenoxy)methyl]-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.01636 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.023636 155.6
[M+Na]+ 316.005578 167.5
[M-H]- 292.009084 162.1
[M+NH4]+ 311.050183 171.9
[M+K]+ 331.979518 155.2
[M+H-H2O]+ 276.013620 153.1
[M+HCOO]- 338.014561 176.1
[M+CH3COO]- 352.030211 200.3
[M+Na-2H]- 313.991026 163.0
[M]+ 293.01581142 174.5
[M]- 293.01690858 174.5
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.