CID 58629

101651-67-6

Structural Information

Molecular Formula
C19H23ClN2OS
SMILES
CCN(CC)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H23ClN2OS/c1-4-22(5-2)14-19(23)21(3)16-8-12-18(13-9-16)24-17-10-6-15(20)7-11-17/h6-13H,4-5,14H2,1-3H3
InChIKey
SQWHBSIKCRVFRU-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)sulfanylphenyl]-2-(diethylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12195 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.129226 186.0
[M+Na]+ 385.111168 191.6
[M-H]- 361.114674 194.9
[M+NH4]+ 380.155773 200.7
[M+K]+ 401.085108 187.0
[M+H-H2O]+ 345.119210 177.8
[M+HCOO]- 407.120151 201.2
[M+CH3COO]- 421.135801 224.3
[M+Na-2H]- 383.096616 185.3
[M]+ 362.12140142 193.2
[M]- 362.12249858 193.2
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.