CID 675912

N-(1,3-benzothiazol-2-yl)-4-methoxybenzamide

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)14(18)17-15-16-12-4-2-3-5-13(12)20-15/h2-9H,1H3,(H,16,17,18)
InChIKey
FTKQRUKADZDJIM-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

284.06195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.069226 161.8
[M+Na]+ 307.051168 171.8
[M-H]- 283.054674 169.2
[M+NH4]+ 302.095773 179.6
[M+K]+ 323.025108 167.0
[M+H-H2O]+ 267.059210 154.4
[M+HCOO]- 329.060151 182.3
[M+CH3COO]- 343.075801 174.6
[M+Na-2H]- 305.036616 166.1
[M]+ 284.06140142 166.8
[M]- 284.06249858 166.8
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