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]+ 363.12923 185.8
[M+Na]+ 385.11117 198.6
[M+NH4]+ 380.15577 194.6
[M+K]+ 401.08511 188.3
[M-H]- 361.11467 192.0
[M+Na-2H]- 383.09662 194.2
[M]+ 362.12140 190.2
[M]- 362.12250 190.2
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.