CID 3074823

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

Structural Information

Molecular Formula
C17H22Cl2N2O
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O/c18-13-6-3-7-14(19)17(13)20-16(22)11-12-5-4-10-21-9-2-1-8-15(12)21/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,20,22)/t12-,15+/m0/s1
InChIKey
RYSWJCBXINDJHG-SWLSCSKDSA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.11093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.118206 178.7
[M+Na]+ 363.100148 183.3
[M-H]- 339.103654 182.1
[M+NH4]+ 358.144753 192.5
[M+K]+ 379.074088 176.5
[M+H-H2O]+ 323.108190 171.0
[M+HCOO]- 385.109131 184.0
[M+CH3COO]- 399.124781 186.7
[M+Na-2H]- 361.085596 179.0
[M]+ 340.11038142 174.9
[M]- 340.11147858 174.9
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.