CID 2746092

Maybridge3_007172

Structural Information

Molecular Formula
C15H11ClN2OS
SMILES
CC1=CSC(=N1)C2=CN=C(C=C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2OS/c1-10-9-20-15(18-10)11-2-7-14(17-8-11)19-13-5-3-12(16)4-6-13/h2-9H,1H3
InChIKey
SKWBAKSNCLXOLO-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

302.02808 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.035356 165.5
[M+Na]+ 325.017298 177.2
[M-H]- 301.020804 173.8
[M+NH4]+ 320.061903 181.4
[M+K]+ 340.991238 170.6
[M+H-H2O]+ 285.025340 157.4
[M+HCOO]- 347.026281 179.8
[M+CH3COO]- 361.041931 178.1
[M+Na-2H]- 323.002746 166.9
[M]+ 302.02753142 171.1
[M]- 302.02862858 171.1
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

patents stripe