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]+ 294.02364 158.0
[M+Na]+ 316.00558 163.0
[M+NH4]+ 311.05018 162.2
[M+K]+ 331.97952 162.1
[M-H]- 292.00908 160.2
[M+Na-2H]- 313.99103 163.4
[M]+ 293.01581 158.2
[M]- 293.01691 158.2
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.