CID 43286754

5-methyl-4-phenyl-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C10H9NOS
SMILES
CC1=C(NC(=O)S1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NOS/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKey
CBXOJJSMKBDRCX-UHFFFAOYSA-N
Compound name
5-methyl-4-phenyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.04048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.047756 137.7
[M+Na]+ 214.029698 148.4
[M-H]- 190.033204 143.1
[M+NH4]+ 209.074303 158.2
[M+K]+ 230.003638 143.8
[M+H-H2O]+ 174.037740 131.8
[M+HCOO]- 236.038681 156.9
[M+CH3COO]- 250.054331 151.8
[M+Na-2H]- 212.015146 140.2
[M]+ 191.03993142 138.8
[M]- 191.04102858 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe