CID 5006603

4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-n-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C25H27N3O3
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C25H27N3O3/c1-15-21(24(30)28-20-11-7-8-12-26-20)22(16-9-5-6-10-19(16)31-4)23-17(27-15)13-25(2,3)14-18(23)29/h5-12,22,27H,13-14H2,1-4H3,(H,26,28,30)
InChIKey
GNDSFUSIDQIWMB-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

417.20523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.212506 204.2
[M+Na]+ 440.194448 210.5
[M-H]- 416.197954 210.4
[M+NH4]+ 435.239053 213.4
[M+K]+ 456.168388 204.3
[M+H-H2O]+ 400.202490 192.7
[M+HCOO]- 462.203431 218.0
[M+CH3COO]- 476.219081 211.6
[M+Na-2H]- 438.179896 204.9
[M]+ 417.20468142 202.1
[M]- 417.20577858 202.1
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.