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
2
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 150.4
[M+Na]+ 264.04536 161.4
[M-H]- 240.04886 157.7
[M+NH4]+ 259.08996 170.3
[M+K]+ 280.01930 156.5
[M+H-H2O]+ 224.05340 143.5
[M+HCOO]- 286.05434 171.1
[M+CH3COO]- 300.06999 164.3
[M+Na-2H]- 262.03081 156.1
[M]+ 241.05559 155.4
[M]- 241.05669 155.4
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