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]+ 264.116496 159.5
[M+Na]+ 286.098438 167.6
[M-H]- 262.101944 165.9
[M+NH4]+ 281.143043 175.1
[M+K]+ 302.072378 165.7
[M+H-H2O]+ 246.106480 151.0
[M+HCOO]- 308.107421 178.4
[M+CH3COO]- 322.123071 199.3
[M+Na-2H]- 284.083886 162.0
[M]+ 263.10867142 165.2
[M]- 263.10976858 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