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 176.2
[M+Na]+ 361.04964 183.8
[M-H]- 337.05314 180.9
[M+NH4]+ 356.09424 189.9
[M+K]+ 377.02358 178.2
[M+H-H2O]+ 321.05768 168.2
[M+HCOO]- 383.05862 189.9
[M+CH3COO]- 397.07427 208.9
[M+Na-2H]- 359.03509 176.1
[M]+ 338.05987 180.7
[M]- 338.06097 180.7
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.