CID 3047380

63445-69-2

Structural Information

Molecular Formula
C19H23NO
SMILES
C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1CC#CC3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-15-14-19(21)17-11-5-6-12-18(17)20(15)13-7-10-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-6,11-14H2,1H3/t15-,17-,18-/m1/s1
InChIKey
ZCKXBTXFUADVHY-KBAYOESNSA-N
Compound name
(2R,4aR,8aR)-2-methyl-1-(3-phenylprop-2-ynyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 173.0
[M+Na]+ 304.16720 185.5
[M+NH4]+ 299.21180 178.3
[M+K]+ 320.14114 173.5
[M-H]- 280.17070 169.1
[M+Na-2H]- 302.15265 175.2
[M]+ 281.17743 172.9
[M]- 281.17853 172.9
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.