CID 54683349

Schembl4317997

Structural Information

Molecular Formula
C23H20FN3O4
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C(=O)NCC3=CC=CC=C3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C23H20FN3O4/c24-17-8-6-16(7-9-17)13-27-11-10-26-14-18(20(28)21(29)19(26)23(27)31)22(30)25-12-15-4-2-1-3-5-15/h1-9,14,29H,10-13H2,(H,25,30)
InChIKey
ITSAWZLIKKGLFU-UHFFFAOYSA-N
Compound name
N-benzyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

421.1438 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15108 200.2
[M+Na]+ 444.13302 207.3
[M-H]- 420.13652 205.5
[M+NH4]+ 439.17762 206.9
[M+K]+ 460.10696 200.5
[M+H-H2O]+ 404.14106 187.6
[M+HCOO]- 466.14200 215.2
[M+CH3COO]- 480.15765 228.1
[M+Na-2H]- 442.11847 201.3
[M]+ 421.14325 198.1
[M]- 421.14435 198.1
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