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

15
Patents

299.07285 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 168.6
[M+Na]+ 322.06207 182.0
[M-H]- 298.06557 176.0
[M+NH4]+ 317.10667 184.5
[M+K]+ 338.03601 176.8
[M+H-H2O]+ 282.07011 155.0
[M+HCOO]- 344.07105 182.0
[M+CH3COO]- 358.08670 179.8
[M+Na-2H]- 320.04752 167.5
[M]+ 299.07230 167.0
[M]- 299.07340 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