CID 473972

178979-53-8

Structural Information

Molecular Formula
C18H23Cl2N3O3S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)COCCOC(=O)N
InChI
InChI=1S/C18H23Cl2N3O3S/c1-4-23-15(10-25-5-6-26-18(21)24)22-16(11(2)3)17(23)27-14-8-12(19)7-13(20)9-14/h7-9,11H,4-6,10H2,1-3H3,(H2,21,24)
InChIKey
OKDYVDVNGUDKIN-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methoxy]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

431.0837 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.09098 197.4
[M+Na]+ 454.07292 206.0
[M-H]- 430.07642 201.3
[M+NH4]+ 449.11752 208.5
[M+K]+ 470.04686 199.7
[M+H-H2O]+ 414.08096 190.4
[M+HCOO]- 476.08190 203.1
[M+CH3COO]- 490.09755 226.6
[M+Na-2H]- 452.05837 191.4
[M]+ 431.08315 207.4
[M]- 431.08425 207.4
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