CID 473910

5-(3,5-dimethylphenylthio)-4-isopropyl-1,2-dimethyl-1h-imidazole

Structural Information

Molecular Formula
C16H22N2S
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2C)C)C(C)C)C
InChI
InChI=1S/C16H22N2S/c1-10(2)15-16(18(6)13(5)17-15)19-14-8-11(3)7-12(4)9-14/h7-10H,1-6H3
InChIKey
ISQMSXNDRIMLIX-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

274.15036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15764 163.6
[M+Na]+ 297.13958 174.3
[M-H]- 273.14308 169.1
[M+NH4]+ 292.18418 181.1
[M+K]+ 313.11352 169.6
[M+H-H2O]+ 257.14762 156.5
[M+HCOO]- 319.14856 179.5
[M+CH3COO]- 333.16421 203.5
[M+Na-2H]- 295.12503 160.3
[M]+ 274.14981 169.1
[M]- 274.15091 169.1
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