CID 135461481

2-[(2,6-dimethylphenyl)imino]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=C(C(=CC=C1)C)N=C2NC(=O)CS2
InChI
InChI=1S/C11H12N2OS/c1-7-4-3-5-8(2)10(7)13-11-12-9(14)6-15-11/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKey
FBQWEQNQNVYRKS-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.06703 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 147.6
[M+Na]+ 243.056248 156.5
[M-H]- 219.059754 153.7
[M+NH4]+ 238.100853 167.2
[M+K]+ 259.030188 152.1
[M+H-H2O]+ 203.064290 141.0
[M+HCOO]- 265.065231 166.1
[M+CH3COO]- 279.080881 187.9
[M+Na-2H]- 241.041696 148.0
[M]+ 220.06648142 147.0
[M]- 220.06757858 147.0
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.