CID 478679

Chembl289110

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C=CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N
InChI
InChI=1S/C18H15N3O2/c1-2-9-21-11-15(18(19)23)17(22)14-4-3-13(10-16(14)21)12-5-7-20-8-6-12/h2-8,10-11H,1,9H2,(H2,19,23)
InChIKey
GSOZKFOQLRTMTO-UHFFFAOYSA-N
Compound name
4-oxo-1-prop-2-enyl-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

305.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 171.8
[M+Na]+ 328.10564 181.2
[M-H]- 304.10914 176.7
[M+NH4]+ 323.15024 184.3
[M+K]+ 344.07958 174.7
[M+H-H2O]+ 288.11368 162.0
[M+HCOO]- 350.11462 192.0
[M+CH3COO]- 364.13027 208.9
[M+Na-2H]- 326.09109 176.3
[M]+ 305.11587 171.9
[M]- 305.11697 171.9
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