CID 56621938

3-desmethyl 4-methyl sibutramine hydrochloride

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 167.7
[M+Na]+ 302.16460 172.1
[M-H]- 278.16810 174.6
[M+NH4]+ 297.20920 180.5
[M+K]+ 318.13854 171.0
[M+H-H2O]+ 262.17264 156.6
[M+HCOO]- 324.17358 184.0
[M+CH3COO]- 338.18923 209.6
[M+Na-2H]- 300.15005 169.4
[M]+ 279.17483 178.7
[M]- 279.17593 178.7
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