CID 3042662

Brn 0834206

Structural Information

Molecular Formula
C13H13ClN4O2S
SMILES
CNC(=O)NC(=O)CSC1=NC=CN1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H13ClN4O2S/c1-15-12(20)17-11(19)8-21-13-16-6-7-18(13)10-4-2-9(14)3-5-10/h2-7H,8H2,1H3,(H2,15,17,19,20)
InChIKey
DVRZCMRRZKSYFA-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.04477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05205 171.9
[M+Na]+ 347.03399 182.4
[M+NH4]+ 342.07859 178.3
[M+K]+ 363.00793 176.5
[M-H]- 323.03749 174.2
[M+Na-2H]- 345.01944 177.5
[M]+ 324.04422 174.4
[M]- 324.04532 174.4
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

No patent data available for this compound.