CID 141522635

3-quinolinecarboxylic acid, 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-, ethyl ester

Structural Information

Molecular Formula
C30H29N3O4
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)C3=CN=C(C(=C3)C)N(C)C(=O)C4=CC=CC=C4)C5CC5
InChI
InChI=1S/C30H29N3O4/c1-5-37-30(36)25-17-33(22-11-12-22)26-19(3)23(13-14-24(26)27(25)34)21-15-18(2)28(31-16-21)32(4)29(35)20-9-7-6-8-10-20/h6-10,13-17,22H,5,11-12H2,1-4H3
InChIKey
CMAZMSAFNFXQGQ-UHFFFAOYSA-N
Compound name
ethyl 7-[6-[benzoyl(methyl)amino]-5-methylpyridin-3-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

495.21582 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.22310 221.8
[M+Na]+ 518.20504 239.3
[M+NH4]+ 513.24964 228.1
[M+K]+ 534.17898 232.4
[M-H]- 494.20854 235.8
[M+Na-2H]- 516.19049 232.6
[M]+ 495.21527 229.5
[M]- 495.21637 229.5
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

patents stripe