CID 5210

Sibutramine

Structural Information

Molecular Formula
C17H26ClN
SMILES
CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C
InChI
InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
InChIKey
UNAANXDKBXWMLN-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1002
References

47463
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 166.9
[M+Na]+ 302.16460 174.5
[M+NH4]+ 297.20920 173.6
[M+K]+ 318.13854 167.1
[M-H]- 278.16810 169.0
[M+Na-2H]- 300.15005 172.7
[M]+ 279.17483 168.0
[M]- 279.17593 168.0
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

patents stripe