CID 135771894

Chembl216317

Structural Information

Molecular Formula
C16H19FN4O3
SMILES
CC(C1=NC(=C(C(=O)N1)O)C(=O)NCC2=CC=C(C=C2)F)N(C)C
InChI
InChI=1S/C16H19FN4O3/c1-9(21(2)3)14-19-12(13(22)16(24)20-14)15(23)18-8-10-4-6-11(17)7-5-10/h4-7,9,22H,8H2,1-3H3,(H,18,23)(H,19,20,24)
InChIKey
ZLQVRJXQHXDPCO-UHFFFAOYSA-N
Compound name
2-[1-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

334.1441 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15138 177.2
[M+Na]+ 357.13332 183.9
[M-H]- 333.13682 179.3
[M+NH4]+ 352.17792 186.9
[M+K]+ 373.10726 180.1
[M+H-H2O]+ 317.14136 166.9
[M+HCOO]- 379.14230 195.7
[M+CH3COO]- 393.15795 215.5
[M+Na-2H]- 355.11877 177.8
[M]+ 334.14355 176.2
[M]- 334.14465 176.2
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.