CID 493571

Ethyl 2-[7-fluoro-6-(4-methylpiperazin-1-yl)-3-oxo-4h-quinoxalin-2-yl]propanoate

Structural Information

Molecular Formula
C18H23FN4O3
SMILES
CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)N3CCN(CC3)C)F
InChI
InChI=1S/C18H23FN4O3/c1-4-26-18(25)11(2)16-17(24)21-14-10-15(12(19)9-13(14)20-16)23-7-5-22(3)6-8-23/h9-11H,4-8H2,1-3H3,(H,21,24)
InChIKey
LIHHMUDZYATJLK-UHFFFAOYSA-N
Compound name
ethyl 2-[7-fluoro-6-(4-methylpiperazin-1-yl)-3-oxo-4H-quinoxalin-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.1754 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18268 188.4
[M+Na]+ 385.16462 195.4
[M-H]- 361.16812 187.6
[M+NH4]+ 380.20922 195.7
[M+K]+ 401.13856 189.8
[M+H-H2O]+ 345.17266 176.8
[M+HCOO]- 407.17360 197.6
[M+CH3COO]- 421.18925 215.9
[M+Na-2H]- 383.15007 187.5
[M]+ 362.17485 186.0
[M]- 362.17595 186.0
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

No patent data available for this compound.