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]+ 341.11821 178.7
[M+Na]+ 363.10015 183.3
[M-H]- 339.10365 182.1
[M+NH4]+ 358.14475 192.5
[M+K]+ 379.07409 176.5
[M+H-H2O]+ 323.10819 171.0
[M+HCOO]- 385.10913 184.0
[M+CH3COO]- 399.12478 186.7
[M+Na-2H]- 361.08560 179.0
[M]+ 340.11038 174.9
[M]- 340.11148 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.