CID 135480623

Chembl298693

Structural Information

Molecular Formula
C10H7ClFN3O
SMILES
C1=CC=C(C(=C1)C2=C(C(=O)NC(=N2)N)Cl)F
InChI
InChI=1S/C10H7ClFN3O/c11-7-8(14-10(13)15-9(7)16)5-3-1-2-4-6(5)12/h1-4H,(H3,13,14,15,16)
InChIKey
SYGWERHRFAGJCA-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(2-fluorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

239.02617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03345 147.3
[M+Na]+ 262.01539 159.2
[M-H]- 238.01889 149.2
[M+NH4]+ 257.05999 162.4
[M+K]+ 277.98933 152.2
[M+H-H2O]+ 222.02343 139.2
[M+HCOO]- 284.02437 163.9
[M+CH3COO]- 298.04002 159.6
[M+Na-2H]- 260.00084 152.4
[M]+ 239.02562 145.8
[M]- 239.02672 145.8
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

patents stripe