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]+ 233.110696 151.4
[M+Na]+ 255.092638 161.2
[M-H]- 231.096144 156.2
[M+NH4]+ 250.137243 169.7
[M+K]+ 271.066578 156.7
[M+H-H2O]+ 215.100680 143.8
[M+HCOO]- 277.101621 169.5
[M+CH3COO]- 291.117271 164.3
[M+Na-2H]- 253.078086 152.6
[M]+ 232.10287142 155.2
[M]- 232.10396858 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.