CID 22593724

N-(5-bromopyrimidin-2-yl)acetamide

Structural Information

Molecular Formula
C6H6BrN3O
SMILES
CC(=O)NC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H6BrN3O/c1-4(11)10-6-8-2-5(7)3-9-6/h2-3H,1H3,(H,8,9,10,11)
InChIKey
LKFUSWVVQGECDI-UHFFFAOYSA-N
Compound name
N-(5-bromopyrimidin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

214.96942 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97670 135.9
[M+Na]+ 237.95864 138.8
[M+NH4]+ 233.00324 139.8
[M+K]+ 253.93258 139.8
[M-H]- 213.96214 135.5
[M+Na-2H]- 235.94409 139.7
[M]+ 214.96887 134.8
[M]- 214.96997 134.8
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

patents stripe