CID 473945

178979-26-5

Structural Information

Molecular Formula
C15H18F2N2OS
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)F)F)C(C)C)CO
InChI
InChI=1S/C15H18F2N2OS/c1-4-19-13(8-20)18-14(9(2)3)15(19)21-12-6-10(16)5-11(17)7-12/h5-7,9,20H,4,8H2,1-3H3
InChIKey
FYQXJQUOOZKYHE-UHFFFAOYSA-N
Compound name
[5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.11078 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11806 168.2
[M+Na]+ 335.10000 178.6
[M-H]- 311.10350 169.5
[M+NH4]+ 330.14460 183.0
[M+K]+ 351.07394 172.7
[M+H-H2O]+ 295.10804 159.3
[M+HCOO]- 357.10898 180.9
[M+CH3COO]- 371.12463 205.3
[M+Na-2H]- 333.08545 163.9
[M]+ 312.11023 170.7
[M]- 312.11133 170.7
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.