CID 54683480

Schembl14129812

Structural Information

Molecular Formula
C17H14ClFN2O3
SMILES
C1=CC(=C(C(=C1)Cl)CCCN2C=CN3C=CC(=O)C(=C3C2=O)O)F
InChI
InChI=1S/C17H14ClFN2O3/c18-12-4-1-5-13(19)11(12)3-2-7-21-10-9-20-8-6-14(22)16(23)15(20)17(21)24/h1,4-6,8-10,23H,2-3,7H2
InChIKey
LAQSHHDACHWFPS-UHFFFAOYSA-N
Compound name
2-[3-(2-chloro-6-fluorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

348.0677 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07498 176.2
[M+Na]+ 371.05692 188.9
[M-H]- 347.06042 179.4
[M+NH4]+ 366.10152 188.5
[M+K]+ 387.03086 181.1
[M+H-H2O]+ 331.06496 166.5
[M+HCOO]- 393.06590 190.1
[M+CH3COO]- 407.08155 209.9
[M+Na-2H]- 369.04237 179.9
[M]+ 348.06715 180.6
[M]- 348.06825 180.6
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

patents stripe