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]+ 239.12126 154.9
[M+Na]+ 261.10320 159.5
[M-H]- 237.10670 159.3
[M+NH4]+ 256.14780 172.9
[M+K]+ 277.07714 157.4
[M+H-H2O]+ 221.11124 147.3
[M+HCOO]- 283.11218 174.9
[M+CH3COO]- 297.12783 198.6
[M+Na-2H]- 259.08865 157.2
[M]+ 238.11343 157.7
[M]- 238.11453 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