CID 486989

Chembl468627

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC3=C2CCCC3)N(C)C)C
InChI
InChI=1S/C20H26N2O/c1-13-9-14(2)11-15(10-13)12-17-16-7-5-6-8-18(16)21-20(23)19(17)22(3)4/h9-11H,5-8,12H2,1-4H3,(H,21,23)
InChIKey
CYYXTKIISNGPGF-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 176.1
[M+Na]+ 333.19372 183.1
[M-H]- 309.19722 182.2
[M+NH4]+ 328.23832 190.7
[M+K]+ 349.16766 177.8
[M+H-H2O]+ 293.20176 167.1
[M+HCOO]- 355.20270 194.3
[M+CH3COO]- 369.21835 213.9
[M+Na-2H]- 331.17917 177.7
[M]+ 310.20395 175.0
[M]- 310.20505 175.0
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.