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 172.0
[M+Na]+ 347.03399 179.9
[M-H]- 323.03749 176.8
[M+NH4]+ 342.07859 186.2
[M+K]+ 363.00793 174.6
[M+H-H2O]+ 307.04203 164.2
[M+HCOO]- 369.04297 186.0
[M+CH3COO]- 383.05862 206.0
[M+Na-2H]- 345.01944 172.3
[M]+ 324.04422 176.1
[M]- 324.04532 176.1
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.