CID 492578

5-[4,4-dimethylpent-2-ynyl(methyl)amino]-3,4-dihydro-1h-quinolin-2-one

Structural Information

Molecular Formula
C17H22N2O
SMILES
CC(C)(C)C#CCN(C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C17H22N2O/c1-17(2,3)11-6-12-19(4)15-8-5-7-14-13(15)9-10-16(20)18-14/h5,7-8H,9-10,12H2,1-4H3,(H,18,20)
InChIKey
BIGHNDRVDNABBQ-UHFFFAOYSA-N
Compound name
5-[4,4-dimethylpent-2-ynyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 169.8
[M+Na]+ 293.16244 177.6
[M-H]- 269.16594 170.3
[M+NH4]+ 288.20704 183.8
[M+K]+ 309.13638 171.4
[M+H-H2O]+ 253.17048 156.8
[M+HCOO]- 315.17142 180.9
[M+CH3COO]- 329.18707 208.6
[M+Na-2H]- 291.14789 172.1
[M]+ 270.17267 162.3
[M]- 270.17377 162.3
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.