CID 479518

Chembl319027

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
CN1CCN(CC1)C2=NC3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4
InChI
InChI=1S/C17H19FN4O3/c1-20-4-6-21(7-5-20)15-13(18)9-22-14(19-15)11(10-2-3-10)8-12(16(22)23)17(24)25/h8-10H,2-7H2,1H3,(H,24,25)
InChIKey
OAKLYILDYCXUSM-UHFFFAOYSA-N
Compound name
9-cyclopropyl-3-fluoro-2-(4-methylpiperazin-1-yl)-6-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

346.1441 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 193.6
[M+Na]+ 369.13332 203.8
[M-H]- 345.13682 196.5
[M+NH4]+ 364.17792 197.1
[M+K]+ 385.10726 195.8
[M+H-H2O]+ 329.14136 182.1
[M+HCOO]- 391.14230 204.6
[M+CH3COO]- 405.15795 200.8
[M+Na-2H]- 367.11877 192.5
[M]+ 346.14355 192.7
[M]- 346.14465 192.7
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