CID 473936

Schembl6961885

Structural Information

Molecular Formula
C15H19ClN2OS
SMILES
CCN1C(=NC(=C1SC2=CC(=CC=C2)Cl)C(C)C)CO
InChI
InChI=1S/C15H19ClN2OS/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
QOARVYXMLVABMQ-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.09067 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09795 169.9
[M+Na]+ 333.07989 180.0
[M-H]- 309.08339 173.6
[M+NH4]+ 328.12449 185.5
[M+K]+ 349.05383 173.6
[M+H-H2O]+ 293.08793 163.2
[M+HCOO]- 355.08887 180.1
[M+CH3COO]- 369.10452 202.4
[M+Na-2H]- 331.06534 167.0
[M]+ 310.09012 175.9
[M]- 310.09122 175.9
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