CID 13217338

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,6-dichlorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H18Cl2N2O
SMILES
C1CC2(CCCN2C1)CC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O/c16-11-4-1-5-12(17)14(11)18-13(20)10-15-6-2-8-19(15)9-3-7-15/h1,4-5H,2-3,6-10H2,(H,18,20)
InChIKey
LSCOFQBMCUXOGJ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.07962 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08690 168.0
[M+Na]+ 335.06884 178.9
[M+NH4]+ 330.11344 178.3
[M+K]+ 351.04278 172.7
[M-H]- 311.07234 171.1
[M+Na-2H]- 333.05429 174.0
[M]+ 312.07907 170.9
[M]- 312.08017 170.9
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.