CID 3074822

2h-quinolizine-1-acetamide, octahydro-n-(2,6-dimethylphenyl)-, (1s-trans)-

Structural Information

Molecular Formula
C19H28N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[C@@H]2CCCN3[C@@H]2CCCC3
InChI
InChI=1S/C19H28N2O/c1-14-7-5-8-15(2)19(14)20-18(22)13-16-9-6-12-21-11-4-3-10-17(16)21/h5,7-8,16-17H,3-4,6,9-13H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKey
YQPNERKMUPSIDS-DLBZAZTESA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 174.6
[M+Na]+ 323.20937 177.1
[M-H]- 299.21287 178.8
[M+NH4]+ 318.25397 188.7
[M+K]+ 339.18331 172.6
[M+H-H2O]+ 283.21741 165.4
[M+HCOO]- 345.21835 188.8
[M+CH3COO]- 359.23400 208.9
[M+Na-2H]- 321.19482 175.2
[M]+ 300.21960 167.8
[M]- 300.22070 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

No patent data available for this compound.