CID 16044736

3-cyclopropyl-2-phenyl-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C12H13NOS
SMILES
C1CC1N2C(SCC2=O)C3=CC=CC=C3
InChI
InChI=1S/C12H13NOS/c14-11-8-15-12(13(11)10-6-7-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
CAQHDFBDKHDMKL-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 144.5
[M+Na]+ 242.06102 154.3
[M-H]- 218.06452 153.7
[M+NH4]+ 237.10562 159.2
[M+K]+ 258.03496 150.1
[M+H-H2O]+ 202.06906 137.5
[M+HCOO]- 264.07000 162.3
[M+CH3COO]- 278.08565 157.3
[M+Na-2H]- 240.04647 145.2
[M]+ 219.07125 146.3
[M]- 219.07235 146.3
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.