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]+ 221.07431 147.6
[M+Na]+ 243.05625 156.5
[M-H]- 219.05975 153.7
[M+NH4]+ 238.10085 167.2
[M+K]+ 259.03019 152.1
[M+H-H2O]+ 203.06429 141.0
[M+HCOO]- 265.06523 166.1
[M+CH3COO]- 279.08088 187.9
[M+Na-2H]- 241.04170 148.0
[M]+ 220.06648 147.0
[M]- 220.06758 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.