CID 747687

3268-74-4

Structural Information

Molecular Formula
C11H11ClN2O2S
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl
InChI
InChI=1S/C11H11ClN2O2S/c1-2-16-7-3-4-8-9(5-7)17-11(13-8)14-10(15)6-12/h3-5H,2,6H2,1H3,(H,13,14,15)
InChIKey
RTLJXLUAHMPBAV-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

270.02298 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03026 156.5
[M+Na]+ 293.01220 169.1
[M+NH4]+ 288.05680 165.0
[M+K]+ 308.98614 161.8
[M-H]- 269.01570 158.4
[M+Na-2H]- 290.99765 161.8
[M]+ 270.02243 159.5
[M]- 270.02353 159.5
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

patents stripe