CID 478768

Chembl43635

Structural Information

Molecular Formula

C₁₂H₁₁IN₂O₂

SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)I)C(=O)N

InChI

InChI=1S/C12H11IN2O2/c1-2-15-6-9(12(14)17)11(16)8-4-3-7(13)5-10(8)15/h3-6H,2H2,1H3,(H2,14,17)

InChIKey

GLOSNUVXIHZBKX-UHFFFAOYSA-N

Compound name

1-ethyl-7-iodo-4-oxoquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 341.98654 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.99382	157.6
[M+Na]+	364.97576	160.5
[M-H]-	340.97926	154.0
[M+NH4]+	360.02036	170.3
[M+K]+	380.94970	162.7
[M+H-H2O]+	324.98380	147.0
[M+HCOO]-	386.98474	174.4
[M+CH3COO]-	401.00039	203.3
[M+Na-2H]-	362.96121	150.4
[M]+	341.98599	155.9
[M]-	341.98709	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe