CID 54705359

Schembl14129925

Structural Information

Molecular Formula
C21H15FN4O4
SMILES
C1=CC(=CN=C1)C(=O)NC2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C21H15FN4O4/c22-15-5-3-13(4-6-15)11-26-9-8-25-12-16(18(27)19(28)17(25)21(26)30)24-20(29)14-2-1-7-23-10-14/h1-10,12,28H,11H2,(H,24,29)
InChIKey
PVGULIBOAXWXIT-UHFFFAOYSA-N
Compound name
N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.10773 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11501 195.6
[M+Na]+ 429.09695 205.5
[M-H]- 405.10045 200.6
[M+NH4]+ 424.14155 201.6
[M+K]+ 445.07089 198.2
[M+H-H2O]+ 389.10499 182.5
[M+HCOO]- 451.10593 212.6
[M+CH3COO]- 465.12158 204.1
[M+Na-2H]- 427.08240 199.6
[M]+ 406.10718 196.0
[M]- 406.10828 196.0
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