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 186.2
[M+Na]+ 385.11117 190.9
[M-H]- 361.11467 194.7
[M+NH4]+ 380.15577 200.6
[M+K]+ 401.08511 186.3
[M+H-H2O]+ 345.11921 177.8
[M+HCOO]- 407.12015 201.5
[M+CH3COO]- 421.13580 223.1
[M+Na-2H]- 383.09662 186.1
[M]+ 362.12140 193.0
[M]- 362.12250 193.0
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.