CID 853734

1h-imidazole, 1-ethyl-1-(ethylthio)-2-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2S
SMILES
CCN1C(=CN=C1C2=CC=CC=C2)SCC
InChI
InChI=1S/C13H16N2S/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
RMVUPVKSDLWVKP-UHFFFAOYSA-N
Compound name
1-ethyl-5-ethylsulfanyl-2-phenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

232.10342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 151.4
[M+Na]+ 255.09264 161.2
[M-H]- 231.09614 156.2
[M+NH4]+ 250.13724 169.7
[M+K]+ 271.06658 156.7
[M+H-H2O]+ 215.10068 143.8
[M+HCOO]- 277.10162 169.5
[M+CH3COO]- 291.11727 164.3
[M+Na-2H]- 253.07809 152.6
[M]+ 232.10287 155.2
[M]- 232.10397 155.2
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

No patent data available for this compound.