CID 3042656

Brn 0848313

Structural Information

Molecular Formula
C15H18N4O3S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=CC=C2OC
InChI
InChI=1S/C15H18N4O3S/c1-3-16-14(21)18-13(20)10-23-15-17-8-9-19(15)11-6-4-5-7-12(11)22-2/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)
InChIKey
PHHJUNMHIACVKF-UHFFFAOYSA-N
Compound name
N-(ethylcarbamoyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11723 177.3
[M+Na]+ 357.09917 186.0
[M+NH4]+ 352.14377 182.5
[M+K]+ 373.07311 181.2
[M-H]- 333.10267 179.0
[M+Na-2H]- 355.08462 182.0
[M]+ 334.10940 179.0
[M]- 334.11050 179.0
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.