CID 3057082

Beta-methyl-alpha-(p-phenylthiophenyl)-1-imidazoleethanol

Structural Information

Molecular Formula
C18H18N2OS
SMILES
CC(C(C1=CC=C(C=C1)SC2=CC=CC=C2)O)N3C=CN=C3
InChI
InChI=1S/C18H18N2OS/c1-14(20-12-11-19-13-20)18(21)15-7-9-17(10-8-15)22-16-5-3-2-4-6-16/h2-14,18,21H,1H3
InChIKey
SFVPHFDJQCZCQE-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.11398 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12126 171.6
[M+Na]+ 333.10320 178.4
[M-H]- 309.10670 177.7
[M+NH4]+ 328.14780 184.9
[M+K]+ 349.07714 172.7
[M+H-H2O]+ 293.11124 162.9
[M+HCOO]- 355.11218 186.2
[M+CH3COO]- 369.12783 181.9
[M+Na-2H]- 331.08865 171.2
[M]+ 310.11343 172.6
[M]- 310.11453 172.6
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