CID 474018

178979-99-2

Structural Information

Molecular Formula
C16H22N2O2S
SMILES
CC1=CC(=CC(=C1)S(=O)C2=C(N=C(N2C)CO)C(C)C)C
InChI
InChI=1S/C16H22N2O2S/c1-10(2)15-16(18(5)14(9-19)17-15)21(20)13-7-11(3)6-12(4)8-13/h6-8,10,19H,9H2,1-5H3
InChIKey
RMHQMSPIVDSWIM-UHFFFAOYSA-N
Compound name
[5-(3,5-dimethylphenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

306.1402 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14748 170.7
[M+Na]+ 329.12942 180.3
[M-H]- 305.13292 174.8
[M+NH4]+ 324.17402 185.6
[M+K]+ 345.10336 175.7
[M+H-H2O]+ 289.13746 163.7
[M+HCOO]- 351.13840 184.5
[M+CH3COO]- 365.15405 205.3
[M+Na-2H]- 327.11487 166.2
[M]+ 306.13965 175.8
[M]- 306.14075 175.8
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