CID 56621938

(1rs)-1-[1-(4-chlorophenyl)cyclobutyl]-n,n-dimethylpentan-1-amine hydrochloride; sibutramine hydrochloride monohydrate imp. c (pharmeuropa) as hydrochloride; sibutramine related compound c as hydrochloride; sibutramine hydrochloride monohydrate impurity c; sibutramine impurity c

Structural Information

Molecular Formula
C17H26ClN
SMILES
CCCCC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C
InChI
InChI=1S/C17H26ClN/c1-4-5-7-16(19(2)3)17(12-6-13-17)14-8-10-15(18)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3
InChIKey
ZRQNZTCORFVCOG-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.17538 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18266 165.9
[M+Na]+ 302.16460 173.9
[M+NH4]+ 297.20920 172.7
[M+K]+ 318.13854 165.8
[M-H]- 278.16810 168.2
[M+Na-2H]- 300.15005 172.2
[M]+ 279.17483 167.1
[M]- 279.17593 167.1
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

patents stripe