CID 474093

178980-29-5

Structural Information

Molecular Formula
C15H17Cl2N3OS
SMILES
CC(C)C1=C(N(C(=N1)CC(=O)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3OS/c1-8(2)14-15(20(3)13(19-14)7-12(18)21)22-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H2,18,21)
InChIKey
ZZBBWKQQRQUDAC-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.04694 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05422 179.5
[M+Na]+ 380.03616 189.8
[M-H]- 356.03966 183.7
[M+NH4]+ 375.08076 193.7
[M+K]+ 396.01010 182.8
[M+H-H2O]+ 340.04420 173.2
[M+HCOO]- 402.04514 185.6
[M+CH3COO]- 416.06079 214.6
[M+Na-2H]- 378.02161 174.3
[M]+ 357.04639 185.7
[M]- 357.04749 185.7
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