CID 473913

178978-94-4

Structural Information

Molecular Formula
C15H20N2S
SMILES
CCC1=C(N(C(=N1)C)C)SC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C15H20N2S/c1-6-14-15(17(5)12(4)16-14)18-13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3
InChIKey
RTWXCHWGUXTCTR-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-1,2-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.1347 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 159.4
[M+Na]+ 283.12392 170.9
[M-H]- 259.12742 165.0
[M+NH4]+ 278.16852 177.5
[M+K]+ 299.09786 165.9
[M+H-H2O]+ 243.13196 152.3
[M+HCOO]- 305.13290 176.7
[M+CH3COO]- 319.14855 199.7
[M+Na-2H]- 281.10937 157.6
[M]+ 260.13415 165.1
[M]- 260.13525 165.1
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