CID 473966

[1-ethyl-5-(3-fluorophenyl)sulfanyl-4-isopentyl-imidazol-2-yl]methyl carbamate

Structural Information

Molecular Formula
C18H24FN3O2S
SMILES
CCN1C(=NC(=C1SC2=CC=CC(=C2)F)CCC(C)C)COC(=O)N
InChI
InChI=1S/C18H24FN3O2S/c1-4-22-16(11-24-18(20)23)21-15(9-8-12(2)3)17(22)25-14-7-5-6-13(19)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,20,23)
InChIKey
YTZMFXQEDVZYPW-UHFFFAOYSA-N
Compound name
[1-ethyl-5-(3-fluorophenyl)sulfanyl-4-(3-methylbutyl)imidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.15732 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16460 186.6
[M+Na]+ 388.14654 194.0
[M-H]- 364.15004 189.3
[M+NH4]+ 383.19114 198.8
[M+K]+ 404.12048 188.9
[M+H-H2O]+ 348.15458 177.2
[M+HCOO]- 410.15552 200.7
[M+CH3COO]- 424.17117 218.6
[M+Na-2H]- 386.13199 181.4
[M]+ 365.15677 191.0
[M]- 365.15787 191.0
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

No patent data available for this compound.