CID 2771346

2-carbamothioyl-n-(2-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
COC1=CC=CC=C1NC(=O)CC(=S)N
InChI
InChI=1S/C10H12N2O2S/c1-14-8-5-3-2-4-7(8)12-10(13)6-9(11)15/h2-5H,6H2,1H3,(H2,11,15)(H,12,13)
InChIKey
KEINGNTXFINYPD-UHFFFAOYSA-N
Compound name
3-amino-N-(2-methoxyphenyl)-3-sulfanylidenepropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.069226 148.6
[M+Na]+ 247.051168 154.6
[M-H]- 223.054674 151.6
[M+NH4]+ 242.095773 166.2
[M+K]+ 263.025108 151.5
[M+H-H2O]+ 207.059210 141.7
[M+HCOO]- 269.060151 167.4
[M+CH3COO]- 283.075801 191.9
[M+Na-2H]- 245.036616 149.8
[M]+ 224.06140142 148.8
[M]- 224.06249858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.