CID 473917

178978-98-8

Structural Information

Molecular Formula
C16H22N2OS
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2C)CO)C(C)C)C
InChI
InChI=1S/C16H22N2OS/c1-10(2)15-16(18(5)14(9-19)17-15)20-13-7-11(3)6-12(4)8-13/h6-8,10,19H,9H2,1-5H3
InChIKey
RCBNCBBXPCGGJM-UHFFFAOYSA-N
Compound name
[5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.1453 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15258 167.9
[M+Na]+ 313.13452 177.9
[M-H]- 289.13802 172.0
[M+NH4]+ 308.17912 183.8
[M+K]+ 329.10846 172.8
[M+H-H2O]+ 273.14256 160.9
[M+HCOO]- 335.14350 182.5
[M+CH3COO]- 349.15915 203.0
[M+Na-2H]- 311.11997 164.3
[M]+ 290.14475 173.0
[M]- 290.14585 173.0
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.