CID 3042654

60176-43-4

Structural Information

Molecular Formula
C14H15ClN4O2S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H15ClN4O2S/c1-2-16-13(21)18-12(20)9-22-14-17-7-8-19(14)11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H2,16,18,20,21)
InChIKey
AOCDQQWJYLZCMC-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.06042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06770 176.3
[M+Na]+ 361.04964 186.5
[M+NH4]+ 356.09424 182.4
[M+K]+ 377.02358 180.4
[M-H]- 337.05314 178.5
[M+Na-2H]- 359.03509 181.6
[M]+ 338.05987 178.7
[M]- 338.06097 178.7
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

No patent data available for this compound.