CID 700590

2-(phenoxymethyl)-1,3-benzothiazole

Structural Information

Molecular Formula
C14H11NOS
SMILES
C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c1-2-6-11(7-3-1)16-10-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKey
UVYFAHWMIBGHMU-UHFFFAOYSA-N
Compound name
2-(phenoxymethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

33
Patents

241.05614 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 149.9
[M+Na]+ 264.04536 166.1
[M+NH4]+ 259.08996 160.6
[M+K]+ 280.01930 156.7
[M-H]- 240.04886 155.5
[M+Na-2H]- 262.03081 160.2
[M]+ 241.05559 154.6
[M]- 241.05669 154.6
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