CID 486936

2(1h)-quinolinone, 3-(dimethylamino)methyl-5,6,7,8-tetrahydro-4-(3-methylphenyl)methyl-

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC(=CC=C1)CC2=C(C(=O)NC3=C2CCCC3)CN(C)C
InChI
InChI=1S/C20H26N2O/c1-14-7-6-8-15(11-14)12-17-16-9-4-5-10-19(16)21-20(23)18(17)13-22(2)3/h6-8,11H,4-5,9-10,12-13H2,1-3H3,(H,21,23)
InChIKey
GPJPWPQJOTYJLA-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 176.0
[M+Na]+ 333.19372 182.0
[M-H]- 309.19722 181.6
[M+NH4]+ 328.23832 190.2
[M+K]+ 349.16766 176.7
[M+H-H2O]+ 293.20176 166.7
[M+HCOO]- 355.20270 194.2
[M+CH3COO]- 369.21835 212.7
[M+Na-2H]- 331.17917 178.3
[M]+ 310.20395 174.4
[M]- 310.20505 174.4
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.