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]+ 283.11894 163.9
[M+Na]+ 305.10088 175.2
[M-H]- 281.10438 168.7
[M+NH4]+ 300.14548 178.3
[M+K]+ 321.07482 169.8
[M+H-H2O]+ 265.10892 154.7
[M+HCOO]- 327.10986 186.0
[M+CH3COO]- 341.12551 176.1
[M+Na-2H]- 303.08633 168.2
[M]+ 282.11111 166.6
[M]- 282.11221 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.