CID 135434865

Chembl157708

Structural Information

Molecular Formula
C15H13FN4O2
SMILES
C1COCCN1C2=NC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN4O2/c16-11-3-1-10(2-4-11)13-12(9-17)14(21)19-15(18-13)20-5-7-22-8-6-20/h1-4H,5-8H2,(H,18,19,21)
InChIKey
DAUOKLWBOMDXNH-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.10226 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10954 165.2
[M+Na]+ 323.09148 174.7
[M-H]- 299.09498 166.2
[M+NH4]+ 318.13608 172.1
[M+K]+ 339.06542 168.3
[M+H-H2O]+ 283.09952 146.8
[M+HCOO]- 345.10046 175.8
[M+CH3COO]- 359.11611 172.9
[M+Na-2H]- 321.07693 168.0
[M]+ 300.10171 155.2
[M]- 300.10281 155.2
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.