CID 135854965

6-methyl-2-((2-bromophenoxy)methyl)-4-pyrimidinol

Structural Information

Molecular Formula
C12H11BrN2O2
SMILES
CC1=CC(=O)NC(=N1)COC2=CC=CC=C2Br
InChI
InChI=1S/C12H11BrN2O2/c1-8-6-12(16)15-11(14-8)7-17-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey
FELUIEKTSNSZRX-UHFFFAOYSA-N
Compound name
2-[(2-bromophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0004 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.007676 153.5
[M+Na]+ 316.989618 166.0
[M-H]- 292.993124 159.4
[M+NH4]+ 312.034223 169.7
[M+K]+ 332.963558 153.6
[M+H-H2O]+ 276.997660 151.8
[M+HCOO]- 338.998601 172.6
[M+CH3COO]- 353.014251 195.2
[M+Na-2H]- 314.975066 161.1
[M]+ 293.99985142 173.0
[M]- 294.00094858 173.0
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.