CID 95747

2-(2-ethoxyphenyl)-1,3-benzothiazole

Structural Information

Molecular Formula
C15H13NOS
SMILES
CCOC1=CC=CC=C1C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H13NOS/c1-2-17-13-9-5-3-7-11(13)15-16-12-8-4-6-10-14(12)18-15/h3-10H,2H2,1H3
InChIKey
HZZMUHABLZJHFB-UHFFFAOYSA-N
Compound name
2-(2-ethoxyphenyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

255.0718 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07908 155.1
[M+Na]+ 278.06102 166.4
[M-H]- 254.06452 162.6
[M+NH4]+ 273.10562 174.7
[M+K]+ 294.03496 161.3
[M+H-H2O]+ 238.06906 148.2
[M+HCOO]- 300.07000 175.4
[M+CH3COO]- 314.08565 168.9
[M+Na-2H]- 276.04647 159.6
[M]+ 255.07125 160.8
[M]- 255.07235 160.8
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