CID 54683641

Schembl14129794

Structural Information

Molecular Formula
C21H18FN3O5
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C(=O)NCC3=CC=CO3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C21H18FN3O5/c22-14-5-3-13(4-6-14)11-25-8-7-24-12-16(18(26)19(27)17(24)21(25)29)20(28)23-10-15-2-1-9-30-15/h1-6,9,12,27H,7-8,10-11H2,(H,23,28)
InChIKey
WLMVEQFQFLUSMB-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-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

6
Patents

411.12305 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13033 195.0
[M+Na]+ 434.11227 202.9
[M-H]- 410.11577 201.8
[M+NH4]+ 429.15687 202.9
[M+K]+ 450.08621 198.3
[M+H-H2O]+ 394.12031 184.1
[M+HCOO]- 456.12125 211.0
[M+CH3COO]- 470.13690 224.5
[M+Na-2H]- 432.09772 194.9
[M]+ 411.12250 195.4
[M]- 411.12360 195.4
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.