CID 478725

Chembl288343

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=C(C=C3)N)C(=O)N
InChI
InChI=1S/C18H17N3O2/c1-2-21-10-15(18(20)23)17(22)14-8-5-12(9-16(14)21)11-3-6-13(19)7-4-11/h3-10H,2,19H2,1H3,(H2,20,23)
InChIKey
KCAKMHLSYCUAIA-UHFFFAOYSA-N
Compound name
7-(4-aminophenyl)-1-ethyl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.6
[M+Na]+ 330.12130 181.8
[M-H]- 306.12480 178.8
[M+NH4]+ 325.16590 186.3
[M+K]+ 346.09524 176.1
[M+H-H2O]+ 290.12934 163.6
[M+HCOO]- 352.13028 194.4
[M+CH3COO]- 366.14593 212.9
[M+Na-2H]- 328.10675 175.7
[M]+ 307.13153 171.8
[M]- 307.13263 171.8
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.