CID 3042665

60176-54-7

Structural Information

Molecular Formula
C15H18N4O2S
SMILES
CC1=C(C(=CC=C1)C)N2C=CN=C2SCC(=O)NC(=O)NC
InChI
InChI=1S/C15H18N4O2S/c1-10-5-4-6-11(2)13(10)19-8-7-17-15(19)22-9-12(20)18-14(21)16-3/h4-8H,9H2,1-3H3,(H2,16,18,20,21)
InChIKey
BARNPWQDLNMEDF-UHFFFAOYSA-N
Compound name
2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11505 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12233 175.0
[M+Na]+ 341.10427 184.5
[M+NH4]+ 336.14887 180.7
[M+K]+ 357.07821 179.3
[M-H]- 317.10777 177.2
[M+Na-2H]- 339.08972 179.8
[M]+ 318.11450 177.0
[M]- 318.11560 177.0
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.