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

0
Patents

191.04048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 137.7
[M+Na]+ 214.02970 148.4
[M-H]- 190.03320 143.1
[M+NH4]+ 209.07430 158.2
[M+K]+ 230.00364 143.8
[M+H-H2O]+ 174.03774 131.8
[M+HCOO]- 236.03868 156.9
[M+CH3COO]- 250.05433 151.8
[M+Na-2H]- 212.01515 140.2
[M]+ 191.03993 138.8
[M]- 191.04103 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