CID 6857850

3-butenylamine, 4-(5-chloro-2-(methylthio)phenyl)-n,n-dimethyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C19H22ClNS
SMILES
CN(C)CC/C=C(/C1=CC=CC=C1)\C2=C(C=CC(=C2)Cl)SC
InChI
InChI=1S/C19H22ClNS/c1-21(2)13-7-10-17(15-8-5-4-6-9-15)18-14-16(20)11-12-19(18)22-3/h4-6,8-12,14H,7,13H2,1-3H3/b17-10-
InChIKey
UKCUTUPNJRSRHC-YVLHZVERSA-N
Compound name
(Z)-4-(5-chloro-2-methylsulfanylphenyl)-N,N-dimethyl-4-phenylbut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11615 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12343 179.0
[M+Na]+ 354.10537 193.6
[M+NH4]+ 349.14997 188.7
[M+K]+ 370.07931 181.7
[M-H]- 330.10887 185.3
[M+Na-2H]- 352.09082 187.8
[M]+ 331.11560 183.9
[M]- 331.11670 183.9
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.