CID 3042659

Brn 0832417

Structural Information

Molecular Formula
C15H18N4O2S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=C(C=C2)C
InChI
InChI=1S/C15H18N4O2S/c1-3-16-14(21)18-13(20)10-22-15-17-8-9-19(15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)
InChIKey
SCEPEOCNBWIZEA-UHFFFAOYSA-N
Compound name
N-(ethylcarbamoyl)-2-[1-(4-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 180.9
[M-H]- 317.10777 178.8
[M+NH4]+ 336.14887 187.9
[M+K]+ 357.07821 176.5
[M+H-H2O]+ 301.11231 165.5
[M+HCOO]- 363.11325 192.3
[M+CH3COO]- 377.12890 208.3
[M+Na-2H]- 339.08972 174.2
[M]+ 318.11450 177.2
[M]- 318.11560 177.2
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.