CID 473921

178979-02-7

Structural Information

Molecular Formula
C14H17ClN2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)C)SC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H17ClN2OS/c1-9(2)13-14(17(3)12(8-18)16-13)19-11-6-4-5-10(15)7-11/h4-7,9,18H,8H2,1-3H3
InChIKey
IMLWMVDRRWONPT-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.075 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08228 165.5
[M+Na]+ 319.06422 176.0
[M-H]- 295.06772 169.4
[M+NH4]+ 314.10882 181.7
[M+K]+ 335.03816 169.8
[M+H-H2O]+ 279.07226 159.0
[M+HCOO]- 341.07320 176.1
[M+CH3COO]- 355.08885 199.5
[M+Na-2H]- 317.04967 163.0
[M]+ 296.07445 171.2
[M]- 296.07555 171.2
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

patents stripe