CID 474016

178979-97-0

Structural Information

Molecular Formula
C16H22N2OS
SMILES
CC1=CC(=CC(=C1)S(=O)C2=C(N=C(N2C)C)C(C)C)C
InChI
InChI=1S/C16H22N2OS/c1-10(2)15-16(18(6)13(5)17-15)20(19)14-8-11(3)7-12(4)9-14/h7-10H,1-6H3
InChIKey
CWMQTWFIEMZYNL-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfinyl-1,2-dimethyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

290.1453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15258 166.5
[M+Na]+ 313.13452 176.9
[M-H]- 289.13802 172.1
[M+NH4]+ 308.17912 183.0
[M+K]+ 329.10846 172.6
[M+H-H2O]+ 273.14256 159.4
[M+HCOO]- 335.14350 181.7
[M+CH3COO]- 349.15915 205.7
[M+Na-2H]- 311.11997 162.3
[M]+ 290.14475 172.1
[M]- 290.14585 172.1
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