CID 479517

Chembl323126

Structural Information

Molecular Formula
C16H16FN3O4
SMILES
C1CC1C2=C3N=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4CCOCC4
InChI
InChI=1S/C16H16FN3O4/c17-12-8-20-13(18-14(12)19-3-5-24-6-4-19)10(9-1-2-9)7-11(15(20)21)16(22)23/h7-9H,1-6H2,(H,22,23)
InChIKey
IDRVCRRDGRYIKA-UHFFFAOYSA-N
Compound name
9-cyclopropyl-3-fluoro-2-morpholin-4-yl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.1125 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11978 183.7
[M+Na]+ 356.10172 193.7
[M-H]- 332.10522 188.7
[M+NH4]+ 351.14632 187.6
[M+K]+ 372.07566 188.2
[M+H-H2O]+ 316.10976 172.6
[M+HCOO]- 378.11070 195.7
[M+CH3COO]- 392.12635 192.1
[M+Na-2H]- 354.08717 184.9
[M]+ 333.11195 183.8
[M]- 333.11305 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.