CID 129318747

4-deschloro-3-chloro sibutramine hydrochloride

Structural Information

Molecular Formula
C17H26ClN
SMILES
CC(C)CC(C1(CCC1)C2=CC(=CC=C2)Cl)N(C)C
InChI
InChI=1S/C17H26ClN/c1-13(2)11-16(19(3)4)17(9-6-10-17)14-7-5-8-15(18)12-14/h5,7-8,12-13,16H,6,9-11H2,1-4H3
InChIKey
WEMRCYBXBZWSBU-UHFFFAOYSA-N
Compound name
1-[1-(3-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17538 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18266 169.0
[M+Na]+ 302.16460 173.0
[M-H]- 278.16810 175.9
[M+NH4]+ 297.20920 181.6
[M+K]+ 318.13854 172.5
[M+H-H2O]+ 262.17264 157.9
[M+HCOO]- 324.17358 184.2
[M+CH3COO]- 338.18923 210.5
[M+Na-2H]- 300.15005 169.3
[M]+ 279.17483 179.3
[M]- 279.17593 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.