CID 475889

Schembl8567509

Structural Information

Molecular Formula
C17H24N2O2S
SMILES
CCC1=C(N(C(=N1)C)COCCO)SC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C17H24N2O2S/c1-5-16-17(19(14(4)18-16)11-21-7-6-20)22-15-9-12(2)8-13(3)10-15/h8-10,20H,5-7,11H2,1-4H3
InChIKey
JZCARHTZLLVVFA-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-2-methylimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.15585 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16313 175.9
[M+Na]+ 343.14507 185.5
[M-H]- 319.14857 179.6
[M+NH4]+ 338.18967 190.5
[M+K]+ 359.11901 180.2
[M+H-H2O]+ 303.15311 168.3
[M+HCOO]- 365.15405 191.3
[M+CH3COO]- 379.16970 207.1
[M+Na-2H]- 341.13052 172.9
[M]+ 320.15530 183.2
[M]- 320.15640 183.2
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