CID 2901278

N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C23H23FN2O2S
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C23H23FN2O2S/c1-13-19(22(28)26-16-6-4-5-15(24)9-16)20(14-7-8-29-12-14)21-17(25-13)10-23(2,3)11-18(21)27/h4-9,12,20,25H,10-11H2,1-3H3,(H,26,28)
InChIKey
SHHCURQDZYVNQD-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

410.14642 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15370 196.3
[M+Na]+ 433.13564 204.1
[M-H]- 409.13914 203.0
[M+NH4]+ 428.18024 210.2
[M+K]+ 449.10958 196.7
[M+H-H2O]+ 393.14368 187.7
[M+HCOO]- 455.14462 207.2
[M+CH3COO]- 469.16027 204.9
[M+Na-2H]- 431.12109 193.4
[M]+ 410.14587 194.6
[M]- 410.14697 194.6
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

No patent data available for this compound.