CID 54707934

Schembl4324212

Structural Information

Molecular Formula
C19H17ClFN3O4
SMILES
CC(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CCCC3=C(C=CC=C3Cl)F
InChI
InChI=1S/C19H17ClFN3O4/c1-11(25)22-15-10-24-9-8-23(19(28)16(24)18(27)17(15)26)7-3-4-12-13(20)5-2-6-14(12)21/h2,5-6,8-10,27H,3-4,7H2,1H3,(H,22,25)
InChIKey
ACIDWYVMTDZOPX-UHFFFAOYSA-N
Compound name
N-[2-[3-(2-chloro-6-fluorophenyl)propyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

405.08917 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09645 191.2
[M+Na]+ 428.07839 202.6
[M-H]- 404.08189 194.6
[M+NH4]+ 423.12299 200.8
[M+K]+ 444.05233 195.5
[M+H-H2O]+ 388.08643 181.3
[M+HCOO]- 450.08737 204.8
[M+CH3COO]- 464.10302 224.2
[M+Na-2H]- 426.06384 192.7
[M]+ 405.08862 196.1
[M]- 405.08972 196.1
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