CID 473946

178979-27-6

Structural Information

Molecular Formula
C15H19FN2OS
SMILES
CCN1C(=NC(=C1SC2=CC=CC(=C2)F)C(C)C)CO
InChI
InChI=1S/C15H19FN2OS/c1-4-18-13(9-19)17-14(10(2)3)15(18)20-12-7-5-6-11(16)8-12/h5-8,10,19H,4,9H2,1-3H3
InChIKey
ZWMPOBFQHPTJHW-UHFFFAOYSA-N
Compound name
[1-ethyl-5-(3-fluorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

294.1202 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12748 166.2
[M+Na]+ 317.10942 175.7
[M-H]- 293.11292 168.6
[M+NH4]+ 312.15402 181.5
[M+K]+ 333.08336 170.4
[M+H-H2O]+ 277.11746 158.0
[M+HCOO]- 339.11840 180.1
[M+CH3COO]- 353.13405 201.4
[M+Na-2H]- 315.09487 163.1
[M]+ 294.11965 169.4
[M]- 294.12075 169.4
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