CID 4556

Nsc692297

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(=CCC1=C(C2=CC=CC=C2NC1=O)OCC=C(C)C)C
InChI
InChI=1S/C19H23NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-9,11H,10,12H2,1-4H3,(H,20,21)
InChIKey
YADLZLRNLRNTCM-UHFFFAOYSA-N
Compound name
4-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.1
[M+Na]+ 320.16210 179.3
[M-H]- 296.16560 173.6
[M+NH4]+ 315.20670 186.9
[M+K]+ 336.13604 173.6
[M+H-H2O]+ 280.17014 164.7
[M+HCOO]- 342.17108 189.4
[M+CH3COO]- 356.18673 204.5
[M+Na-2H]- 318.14755 173.3
[M]+ 297.17233 173.5
[M]- 297.17343 173.5
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.