CID 95764

6269-47-2

Structural Information

Molecular Formula
C14H11NOS
SMILES
COC1=CC=CC=C1C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c1-16-12-8-4-2-6-10(12)14-15-11-7-3-5-9-13(11)17-14/h2-9H,1H3
InChIKey
UAKADWQYPAMUOJ-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

124
Patents

241.05614 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 150.1
[M+Na]+ 264.04536 166.6
[M+NH4]+ 259.08996 160.9
[M+K]+ 280.01930 157.5
[M-H]- 240.04886 155.8
[M+Na-2H]- 262.03081 160.2
[M]+ 241.05559 154.9
[M]- 241.05669 154.9
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