CID 135480617

2-amino-5-bromo-4-propyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C7H10BrN3O
SMILES
CCCC1=C(C(=O)NC(=N1)N)Br
InChI
InChI=1S/C7H10BrN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12)
InChIKey
AFVSHWFJRMGGKW-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-propyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

231.00072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00800 138.6
[M+Na]+ 253.98994 151.4
[M-H]- 229.99344 141.2
[M+NH4]+ 249.03454 157.1
[M+K]+ 269.96388 138.8
[M+H-H2O]+ 213.99798 137.4
[M+HCOO]- 275.99892 158.0
[M+CH3COO]- 290.01457 187.2
[M+Na-2H]- 251.97539 145.6
[M]+ 231.00017 155.6
[M]- 231.00127 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.