CID 16065021

Mrz-8676

Structural Information

Molecular Formula
C19H17NO
SMILES
CC1(CCC2=C(C1=O)C=CC(=N2)C#CC3=CC=CC=C3)C
InChI
InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
InChIKey
GXHZJFOEDFUGMK-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2-(2-phenylethynyl)-7,8-dihydroquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

47
Patents

275.131 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13828 167.0
[M+Na]+ 298.12022 182.2
[M+NH4]+ 293.16482 173.8
[M+K]+ 314.09416 168.3
[M-H]- 274.12372 163.7
[M+Na-2H]- 296.10567 173.2
[M]+ 275.13045 167.8
[M]- 275.13155 167.8
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

patents stripe