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]+ 497.187116 221.1
[M+Na]+ 519.169058 226.5
[M-H]- 495.172564 232.3
[M+NH4]+ 514.213663 225.6
[M+K]+ 535.142998 221.1
[M+H-H2O]+ 479.177100 208.8
[M+HCOO]- 541.178041 231.6
[M+CH3COO]- 555.193691 227.3
[M+Na-2H]- 517.154506 218.3
[M]+ 496.17929142 217.4
[M]- 496.18038858 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.