CID 39509

Brn 1017482

Structural Information

Molecular Formula
C18H17NO3S
SMILES
CCOC(=O)CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H17NO3S/c1-3-22-17(20)11-12-4-9-16-15(10-12)19-18(23-16)13-5-7-14(21-2)8-6-13/h4-10H,3,11H2,1-2H3
InChIKey
RGIKAFNNDOGWCB-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-methoxyphenyl)-1,3-benzothiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09293 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10021 174.8
[M+Na]+ 350.08215 189.4
[M+NH4]+ 345.12675 183.2
[M+K]+ 366.05609 181.3
[M-H]- 326.08565 178.8
[M+Na-2H]- 348.06760 182.2
[M]+ 327.09238 178.6
[M]- 327.09348 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.