CID 3042664

Brn 0845519

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
CNC(=O)NC(=O)CSC1=NC=CN1C2=CC=CC=C2OC
InChI
InChI=1S/C14H16N4O3S/c1-15-13(20)17-12(19)9-22-14-16-7-8-18(14)10-5-3-4-6-11(10)21-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKey
MMYRICRXOFMMPH-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10158 173.1
[M+Na]+ 343.08352 181.9
[M+NH4]+ 338.12812 178.4
[M+K]+ 359.05746 177.4
[M-H]- 319.08702 174.8
[M+Na-2H]- 341.06897 178.0
[M]+ 320.09375 174.8
[M]- 320.09485 174.8
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.