CID 185680

2-phenylquinoline-4-carboxamide

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N
InChI
InChI=1S/C16H12N2O/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,17,19)
InChIKey
AOLMGSAMTRTYEX-UHFFFAOYSA-N
Compound name
2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

89
Patents

248.09496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 155.3
[M+Na]+ 271.08418 163.4
[M-H]- 247.08768 161.2
[M+NH4]+ 266.12878 171.3
[M+K]+ 287.05812 158.1
[M+H-H2O]+ 231.09222 146.6
[M+HCOO]- 293.09316 177.2
[M+CH3COO]- 307.10881 167.3
[M+Na-2H]- 269.06963 162.4
[M]+ 248.09441 153.5
[M]- 248.09551 153.5
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

patents stripe