CID 478188

5-(3,5-dichlorophenylthio)-1-ethyl-4-isopropyl-1h-imidazol-2-ylmethyl acetylcarbamate

Structural Information

Molecular Formula
C18H21Cl2N3O3S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)COC(=O)NC(=O)C
InChI
InChI=1S/C18H21Cl2N3O3S/c1-5-23-15(9-26-18(25)21-11(4)24)22-16(10(2)3)17(23)27-14-7-12(19)6-13(20)8-14/h6-8,10H,5,9H2,1-4H3,(H,21,24,25)
InChIKey
WXODOIIGICMKSG-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl N-acetylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

429.06805 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.07533 196.5
[M+Na]+ 452.05727 205.2
[M-H]- 428.06077 201.2
[M+NH4]+ 447.10187 208.0
[M+K]+ 468.03121 199.2
[M+H-H2O]+ 412.06531 189.9
[M+HCOO]- 474.06625 202.0
[M+CH3COO]- 488.08190 226.1
[M+Na-2H]- 450.04272 190.5
[M]+ 429.06750 206.2
[M]- 429.06860 206.2
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