CID 3042663

Acetamide, 2-((1-(4-methoxyphenyl)-1h-imidazol-2-yl)thio)-n-((methylamino)carbonyl)-

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
CNC(=O)NC(=O)CSC1=NC=CN1C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H16N4O3S/c1-15-13(20)17-12(19)9-22-14-16-7-8-18(14)10-3-5-11(21-2)6-4-10/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKey
ZXKORBRHOWKMFX-UHFFFAOYSA-N
Compound name
2-[1-(4-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]+ 321.101576 172.8
[M+Na]+ 343.083518 179.4
[M-H]- 319.087024 177.4
[M+NH4]+ 338.128123 186.1
[M+K]+ 359.057458 176.0
[M+H-H2O]+ 303.091560 163.9
[M+HCOO]- 365.092501 191.3
[M+CH3COO]- 379.108151 207.5
[M+Na-2H]- 341.068966 173.3
[M]+ 320.09375142 176.6
[M]- 320.09484858 176.6
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.