CID 54683321

Schembl4315574

Structural Information

Molecular Formula
C19H18FN3O5
SMILES
COCCNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FN3O5/c1-28-9-6-21-18(26)14-11-22-7-8-23(10-12-2-4-13(20)5-3-12)19(27)15(22)17(25)16(14)24/h2-5,7-8,11,25H,6,9-10H2,1H3,(H,21,26)
InChIKey
HXOREKYXWRCKSR-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-N-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

387.12305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13033 188.4
[M+Na]+ 410.11227 198.0
[M-H]- 386.11577 191.6
[M+NH4]+ 405.15687 197.4
[M+K]+ 426.08621 192.8
[M+H-H2O]+ 370.12031 177.3
[M+HCOO]- 432.12125 206.7
[M+CH3COO]- 446.13690 221.6
[M+Na-2H]- 408.09772 191.2
[M]+ 387.12250 191.9
[M]- 387.12360 191.9
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