CID 486928

3-(dimethylamino)-4-(3-methylbenzoyl)-5,6,7,8-tetrahydro-1h-quinolin-2-one

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1=CC(=CC=C1)C(=O)C2=C(C(=O)NC3=C2CCCC3)N(C)C
InChI
InChI=1S/C19H22N2O2/c1-12-7-6-8-13(11-12)18(22)16-14-9-4-5-10-15(14)20-19(23)17(16)21(2)3/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKey
ODUFCHOHEKOKMM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3-methylbenzoyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 173.1
[M+Na]+ 333.15734 179.4
[M-H]- 309.16084 179.0
[M+NH4]+ 328.20194 187.0
[M+K]+ 349.13128 174.9
[M+H-H2O]+ 293.16538 164.1
[M+HCOO]- 355.16632 191.0
[M+CH3COO]- 369.18197 212.1
[M+Na-2H]- 331.14279 174.9
[M]+ 310.16757 171.3
[M]- 310.16867 171.3
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.