CID 478680

Chembl40934

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N
InChI
InChI=1S/C18H15N3O2/c19-18(23)15-10-21(13-2-3-13)16-9-12(1-4-14(16)17(15)22)11-5-7-20-8-6-11/h1,4-10,13H,2-3H2,(H2,19,23)
InChIKey
PPQQBPLWEHIQDR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-oxo-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

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 174.2
[M+Na]+ 328.10564 185.1
[M-H]- 304.10914 182.5
[M+NH4]+ 323.15024 182.1
[M+K]+ 344.07958 178.0
[M+H-H2O]+ 288.11368 164.7
[M+HCOO]- 350.11462 195.0
[M+CH3COO]- 364.13027 184.8
[M+Na-2H]- 326.09109 178.6
[M]+ 305.11587 176.0
[M]- 305.11697 176.0
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