CID 492576

5-(6,6-dimethylhepta-1,2-dien-4-ynylamino)-3,4-dihydro-1h-quinolin-2-one

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC(C)(C)C#CC=C=CNC1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,7-9,13,19H,10-11H2,1-3H3,(H,20,21)
InChIKey
YJGGGXOFXZAZGP-UHFFFAOYSA-N
Compound name
5-(6,6-dimethylhepta-1,2-dien-4-ynylamino)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 175.1
[M+Na]+ 303.14678 183.1
[M-H]- 279.15028 174.3
[M+NH4]+ 298.19138 188.2
[M+K]+ 319.12072 174.3
[M+H-H2O]+ 263.15482 162.2
[M+HCOO]- 325.15576 185.8
[M+CH3COO]- 339.17141 205.6
[M+Na-2H]- 301.13223 177.4
[M]+ 280.15701 165.4
[M]- 280.15811 165.4
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.