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]+ 301.227426 174.6
[M+Na]+ 323.209368 177.1
[M-H]- 299.212874 178.8
[M+NH4]+ 318.253973 188.7
[M+K]+ 339.183308 172.6
[M+H-H2O]+ 283.217410 165.4
[M+HCOO]- 345.218351 188.8
[M+CH3COO]- 359.234001 208.9
[M+Na-2H]- 321.194816 175.2
[M]+ 300.21960142 167.8
[M]- 300.22069858 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.