CID 478724

Chembl263206

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C18H15N3O4/c1-2-20-10-15(18(19)23)17(22)14-8-5-12(9-16(14)20)11-3-6-13(7-4-11)21(24)25/h3-10H,2H2,1H3,(H2,19,23)
InChIKey
CJKFGTKREKSHGM-UHFFFAOYSA-N
Compound name
1-ethyl-7-(4-nitrophenyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.10626 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 175.9
[M+Na]+ 360.09548 183.4
[M-H]- 336.09898 182.3
[M+NH4]+ 355.14008 187.5
[M+K]+ 376.06942 174.7
[M+H-H2O]+ 320.10352 171.0
[M+HCOO]- 382.10446 198.1
[M+CH3COO]- 396.12011 209.3
[M+Na-2H]- 358.08093 181.4
[M]+ 337.10571 175.2
[M]- 337.10681 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.