CID 66309567

5-bromo-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C8H7BrN4O2
SMILES
CC1=NOC(=N1)CN2C=NC=C(C2=O)Br
InChI
InChI=1S/C8H7BrN4O2/c1-5-11-7(15-12-5)3-13-4-10-2-6(9)8(13)14/h2,4H,3H2,1H3
InChIKey
FKJDGIZFCVNVTG-UHFFFAOYSA-N
Compound name
5-bromo-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.97525 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98253 144.4
[M+Na]+ 292.96447 159.4
[M-H]- 268.96797 150.3
[M+NH4]+ 288.00907 160.3
[M+K]+ 308.93841 149.5
[M+H-H2O]+ 252.97251 142.5
[M+HCOO]- 314.97345 163.8
[M+CH3COO]- 328.98910 159.7
[M+Na-2H]- 290.94992 152.4
[M]+ 269.97470 166.6
[M]- 269.97580 166.6
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.