CID 120832

4-(5-chloro-2-(methylthio)phenyl)-n,n-dimethyl-4-phenylbutylamine hydrobromide

Structural Information

Molecular Formula
C19H24ClNS
SMILES
CN(C)CCCC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)SC
InChI
InChI=1S/C19H24ClNS/c1-21(2)13-7-10-17(15-8-5-4-6-9-15)18-14-16(20)11-12-19(18)22-3/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3
InChIKey
YPDOTBFFSHAKPH-UHFFFAOYSA-N
Compound name
4-(5-chloro-2-methylsulfanylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1318 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13908 179.5
[M+Na]+ 356.12102 194.0
[M+NH4]+ 351.16562 189.5
[M+K]+ 372.09496 182.2
[M-H]- 332.12452 186.1
[M+Na-2H]- 354.10647 188.4
[M]+ 333.13125 184.5
[M]- 333.13235 184.5
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.