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 167.6
[M-H]- 262.10194 165.9
[M+NH4]+ 281.14304 175.1
[M+K]+ 302.07238 165.7
[M+H-H2O]+ 246.10648 151.0
[M+HCOO]- 308.10742 178.4
[M+CH3COO]- 322.12307 199.3
[M+Na-2H]- 284.08389 162.0
[M]+ 263.10867 165.2
[M]- 263.10977 165.2
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