CID 3046126

Ethanamine, n,n-dimethyl-2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, monohydrochloride

Structural Information

Molecular Formula
C13H17N3OS
SMILES
CN(C)CCSCC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3OS/c1-16(2)8-9-18-10-12-14-13(15-17-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
HDHFOWNKQLIMFH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.10922 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11650 159.5
[M+Na]+ 286.09844 171.9
[M+NH4]+ 281.14304 167.7
[M+K]+ 302.07238 165.0
[M-H]- 262.10194 164.6
[M+Na-2H]- 284.08389 166.5
[M]+ 263.10867 163.2
[M]- 263.10977 163.2
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

patents stripe