CID 473992

178979-74-3

Structural Information

Molecular Formula
C16H19Cl2N3OS
SMILES
CC(C)C1=C(N(C(=N1)CNC(=O)C)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3OS/c1-9(2)15-16(21(4)14(20-15)8-19-10(3)22)23-13-6-11(17)5-12(18)7-13/h5-7,9H,8H2,1-4H3,(H,19,22)
InChIKey
LTHAKYZDGQXOQT-UHFFFAOYSA-N
Compound name
N-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

371.0626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.06988 183.8
[M+Na]+ 394.05182 193.8
[M-H]- 370.05532 188.4
[M+NH4]+ 389.09642 197.8
[M+K]+ 410.02576 186.9
[M+H-H2O]+ 354.05986 177.2
[M+HCOO]- 416.06080 190.2
[M+CH3COO]- 430.07645 217.4
[M+Na-2H]- 392.03727 179.1
[M]+ 371.06205 191.2
[M]- 371.06315 191.2
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