CID 24738462

Cancer-targeting compound 1

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CC1(COC(=O)N1C2=NC(=CS2)C3=CC=C(C=C3)C#N)C
InChI
InChI=1S/C15H13N3O2S/c1-15(2)9-20-14(19)18(15)13-17-12(8-21-13)11-5-3-10(7-16)4-6-11/h3-6,8H,9H2,1-2H3
InChIKey
OLHKCEIOFAUDPT-UHFFFAOYSA-N
Compound name
4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

299.07285 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.080126 168.6
[M+Na]+ 322.062068 182.0
[M-H]- 298.065574 176.0
[M+NH4]+ 317.106673 184.5
[M+K]+ 338.036008 176.8
[M+H-H2O]+ 282.070110 155.0
[M+HCOO]- 344.071051 182.0
[M+CH3COO]- 358.086701 179.8
[M+Na-2H]- 320.047516 167.5
[M]+ 299.07230142 167.0
[M]- 299.07339858 167.0
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