CID 5127864

4-(1,3-benzodioxol-5-yl)-n-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C30H25FN2O4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC(=CC=C6)F
InChI
InChI=1S/C30H25FN2O4/c1-17-27(30(35)33-22-9-5-8-21(31)15-22)28(19-10-11-25-26(14-19)37-16-36-25)29-23(32-17)12-20(13-24(29)34)18-6-3-2-4-7-18/h2-11,14-15,20,28,32H,12-13,16H2,1H3,(H,33,35)
InChIKey
ULOHJNTYUAHSON-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.17984 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.18712 221.1
[M+Na]+ 519.16906 226.5
[M-H]- 495.17256 232.3
[M+NH4]+ 514.21366 225.6
[M+K]+ 535.14300 221.1
[M+H-H2O]+ 479.17710 208.8
[M+HCOO]- 541.17804 231.6
[M+CH3COO]- 555.19369 227.3
[M+Na-2H]- 517.15451 218.3
[M]+ 496.17929 217.4
[M]- 496.18039 217.4
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.