CID 3042669

60176-58-1

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CNC(=O)NC(=O)CSC1=NC=CN1C2=CC=CC=C2
InChI
InChI=1S/C13H14N4O2S/c1-14-12(19)16-11(18)9-20-13-15-7-8-17(13)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,14,16,18,19)
InChIKey
WYTNYVFGBBUEEI-UHFFFAOYSA-N
Compound name
N-(methylcarbamoyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 165.3
[M+Na]+ 313.07296 171.9
[M-H]- 289.07646 169.8
[M+NH4]+ 308.11756 179.7
[M+K]+ 329.04690 168.0
[M+H-H2O]+ 273.08100 156.6
[M+HCOO]- 335.08194 184.0
[M+CH3COO]- 349.09759 201.1
[M+Na-2H]- 311.05841 166.8
[M]+ 290.08319 167.1
[M]- 290.08429 167.1
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.