CID 3024348

Nm-566

Structural Information

Molecular Formula
C19H23ClN2OS
SMILES
CN(C)CCC(=O)N(CCSC1=CC=C(C=C1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C19H23ClN2OS/c1-21(2)13-12-19(23)22(17-6-4-3-5-7-17)14-15-24-18-10-8-16(20)9-11-18/h3-11H,12-15H2,1-2H3
InChIKey
WJHMJZSCBFJHFM-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12923 185.5
[M+Na]+ 385.11117 198.0
[M+NH4]+ 380.15577 194.2
[M+K]+ 401.08511 187.4
[M-H]- 361.11467 191.7
[M+Na-2H]- 383.09662 194.1
[M]+ 362.12140 189.8
[M]- 362.12250 189.8
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.