CID 135415560

2-[(2,4-dimethylphenyl)amino]-4,5-dihydro-1,3-thiazol-4-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
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

patents stripe