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 177.7
[M+Na]+ 354.10537 184.4
[M-H]- 330.10887 185.3
[M+NH4]+ 349.14997 193.6
[M+K]+ 370.07931 177.8
[M+H-H2O]+ 314.11341 170.3
[M+HCOO]- 376.11435 191.3
[M+CH3COO]- 390.13000 214.1
[M+Na-2H]- 352.09082 176.9
[M]+ 331.11560 182.9
[M]- 331.11670 182.9
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.