CID 215579

N-(2-(dimethylamino)ethyl)-2-(phenylthio)acetamide monohydrochloride

Structural Information

Molecular Formula
C12H18N2OS
SMILES
CN(C)CCNC(=O)CSC1=CC=CC=C1
InChI
InChI=1S/C12H18N2OS/c1-14(2)9-8-13-12(15)10-16-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChIKey
SBXWVNZZDFATGS-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-phenylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.11398 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.121256 154.9
[M+Na]+ 261.103198 159.5
[M-H]- 237.106704 159.3
[M+NH4]+ 256.147803 172.9
[M+K]+ 277.077138 157.4
[M+H-H2O]+ 221.111240 147.3
[M+HCOO]- 283.112181 174.9
[M+CH3COO]- 297.127831 198.6
[M+Na-2H]- 259.088646 157.2
[M]+ 238.11343142 157.7
[M]- 238.11452858 157.7
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

patents stripe