CID 2900246

4-[4-(dimethylamino)phenyl]-n-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C27H30FN3O2
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C27H30FN3O2/c1-16-23(26(33)30-19-8-6-7-18(28)13-19)24(17-9-11-20(12-10-17)31(4)5)25-21(29-16)14-27(2,3)15-22(25)32/h6-13,24,29H,14-15H2,1-5H3,(H,30,33)
InChIKey
IIROCNQGLPEUAO-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.2322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23948 211.5
[M+Na]+ 470.22142 217.4
[M-H]- 446.22492 218.9
[M+NH4]+ 465.26602 221.4
[M+K]+ 486.19536 211.4
[M+H-H2O]+ 430.22946 199.7
[M+HCOO]- 492.23040 226.1
[M+CH3COO]- 506.24605 242.7
[M+Na-2H]- 468.20687 209.6
[M]+ 447.23165 208.1
[M]- 447.23275 208.1
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.