CID 3042660

Brn 0836506

Structural Information

Molecular Formula
C15H18N4O2S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=CC=C2C
InChI
InChI=1S/C15H18N4O2S/c1-3-16-14(21)18-13(20)10-22-15-17-8-9-19(15)12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)
InChIKey
KLGWFISEPUGNDJ-UHFFFAOYSA-N
Compound name
N-(ethylcarbamoyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
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 174.3
[M+Na]+ 341.10427 183.5
[M+NH4]+ 336.14887 180.1
[M+K]+ 357.07821 178.1
[M-H]- 317.10777 176.5
[M+Na-2H]- 339.08972 179.4
[M]+ 318.11450 176.3
[M]- 318.11560 176.3
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.