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]+ 295.00768 153.5
[M+Na]+ 316.98962 166.0
[M-H]- 292.99312 159.4
[M+NH4]+ 312.03422 169.7
[M+K]+ 332.96356 153.6
[M+H-H2O]+ 276.99766 151.8
[M+HCOO]- 338.99860 172.6
[M+CH3COO]- 353.01425 195.2
[M+Na-2H]- 314.97507 161.1
[M]+ 293.99985 173.0
[M]- 294.00095 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.