CID 2893427

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

Structural Information

Molecular Formula
C27H32N4O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)N(C)C)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C27H32N4O2/c1-16-8-7-9-22(28-16)30-26(33)23-17(2)29-20-14-27(3,4)15-21(32)25(20)24(23)18-10-12-19(13-11-18)31(5)6/h7-13,24,29H,14-15H2,1-6H3,(H,28,30,33)
InChIKey
YNLMPMSMKDAMNB-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.25253 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.25981 212.5
[M+Na]+ 467.24175 218.2
[M-H]- 443.24525 220.0
[M+NH4]+ 462.28635 221.2
[M+K]+ 483.21569 212.5
[M+H-H2O]+ 427.24979 200.9
[M+HCOO]- 489.25073 226.9
[M+CH3COO]- 503.26638 242.8
[M+Na-2H]- 465.22720 211.5
[M]+ 444.25198 210.7
[M]- 444.25308 210.7
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.