CID 478761

Chembl43291

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)N3C=CN=C3)C(=O)N
InChI
InChI=1S/C15H14N4O2/c1-2-18-8-12(15(16)21)14(20)11-4-3-10(7-13(11)18)19-6-5-17-9-19/h3-9H,2H2,1H3,(H2,16,21)
InChIKey
SSOWKWHDTFCFOT-UHFFFAOYSA-N
Compound name
1-ethyl-7-imidazol-1-yl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 163.9
[M+Na]+ 305.100878 175.2
[M-H]- 281.104384 168.7
[M+NH4]+ 300.145483 178.3
[M+K]+ 321.074818 169.8
[M+H-H2O]+ 265.108920 154.7
[M+HCOO]- 327.109861 186.0
[M+CH3COO]- 341.125511 176.1
[M+Na-2H]- 303.086326 168.2
[M]+ 282.11111142 166.6
[M]- 282.11220858 166.6
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.