CID 2893545

361195-84-8

Structural Information

Molecular Formula
C25H27N3O3
SMILES
CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=CC=CC(=N4)C)C
InChI
InChI=1S/C25H27N3O3/c1-4-31-18-13-11-17(12-14-18)23-22(25(30)28-21-10-5-7-15(2)26-21)16(3)27-19-8-6-9-20(29)24(19)23/h5,7,10-14,23,27H,4,6,8-9H2,1-3H3,(H,26,28,30)
InChIKey
BKXBPSZDKSWCIF-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenyl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.20523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21251 204.5
[M+Na]+ 440.19445 218.5
[M+NH4]+ 435.23905 210.6
[M+K]+ 456.16839 210.4
[M-H]- 416.19795 210.0
[M+Na-2H]- 438.17990 211.0
[M]+ 417.20468 208.0
[M]- 417.20578 208.0
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.