CID 478693

Chembl287948

Structural Information

Molecular Formula
C23H19N3O2
SMILES
CC1=C(C=C(C=C1)N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)C
InChI
InChI=1S/C23H19N3O2/c1-14-3-5-18(11-15(14)2)26-13-20(23(24)28)22(27)19-6-4-17(12-21(19)26)16-7-9-25-10-8-16/h3-13H,1-2H3,(H2,24,28)
InChIKey
FPZQMWONSFGHFP-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

369.14774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 191.9
[M+Na]+ 392.13696 201.6
[M-H]- 368.14046 200.1
[M+NH4]+ 387.18156 201.6
[M+K]+ 408.11090 194.3
[M+H-H2O]+ 352.14500 180.3
[M+HCOO]- 414.14594 211.1
[M+CH3COO]- 428.16159 201.7
[M+Na-2H]- 390.12241 194.5
[M]+ 369.14719 192.4
[M]- 369.14829 192.4
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