CID 135415405

2-o-tolylamino-thiazol-4-one

Structural Information

Molecular Formula
C10H10N2OS
SMILES
CC1=CC=CC=C1N=C2NC(=O)CS2
InChI
InChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)11-10-12-9(13)6-14-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKey
ZHBWFKCQBDLFKE-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

206.05139 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 143.3
[M+Na]+ 229.040608 151.8
[M-H]- 205.044114 149.2
[M+NH4]+ 224.085213 163.2
[M+K]+ 245.014548 147.7
[M+H-H2O]+ 189.048650 136.6
[M+HCOO]- 251.049591 162.3
[M+CH3COO]- 265.065241 183.7
[M+Na-2H]- 227.026056 144.9
[M]+ 206.05084142 141.9
[M]- 206.05193858 141.9
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

patents stripe