CID 6433225

N,n-dimethyl-4-(m-(methylthio)phenyl)-4-phenyl-3-butenylamine hydrochloride

Structural Information

Molecular Formula
C19H23NS
SMILES
CN(C)CC/C=C(\C1=CC=CC=C1)/C2=CC(=CC=C2)SC
InChI
InChI=1S/C19H23NS/c1-20(2)14-8-13-19(16-9-5-4-6-10-16)17-11-7-12-18(15-17)21-3/h4-7,9-13,15H,8,14H2,1-3H3/b19-13+
InChIKey
AIZUTTCZVYHOPP-CPNJWEJPSA-N
Compound name
(E)-N,N-dimethyl-4-(3-methylsulfanylphenyl)-4-phenylbut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15512 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 171.8
[M+Na]+ 320.14434 176.9
[M-H]- 296.14784 179.1
[M+NH4]+ 315.18894 187.8
[M+K]+ 336.11828 172.0
[M+H-H2O]+ 280.15238 163.4
[M+HCOO]- 342.15332 189.9
[M+CH3COO]- 356.16897 209.4
[M+Na-2H]- 318.12979 172.1
[M]+ 297.15457 174.3
[M]- 297.15567 174.3
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.