CID 95753

2-(4-methoxyphenyl)benzothiazole

Structural Information

Molecular Formula
C14H11NOS
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
InChIKey
AOPZIJQISHFZBN-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

141
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 150.5
[M+Na]+ 264.04536 162.3
[M-H]- 240.04886 158.3
[M+NH4]+ 259.08996 170.8
[M+K]+ 280.01930 157.4
[M+H-H2O]+ 224.05340 143.8
[M+HCOO]- 286.05434 171.2
[M+CH3COO]- 300.06999 164.8
[M+Na-2H]- 262.03081 155.6
[M]+ 241.05559 155.9
[M]- 241.05669 155.9
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