CID 3042663

Brn 0841256

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]+ 321.10158 172.8
[M+Na]+ 343.08352 179.4
[M-H]- 319.08702 177.4
[M+NH4]+ 338.12812 186.1
[M+K]+ 359.05746 176.0
[M+H-H2O]+ 303.09156 163.9
[M+HCOO]- 365.09250 191.3
[M+CH3COO]- 379.10815 207.5
[M+Na-2H]- 341.06897 173.3
[M]+ 320.09375 176.6
[M]- 320.09485 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.