CID 747687

2-chloro-n-(6-ethoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene)acetamide

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

4
Patents

270.02298 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.030256 155.9
[M+Na]+ 293.012198 166.7
[M-H]- 269.015704 160.1
[M+NH4]+ 288.056803 175.5
[M+K]+ 308.986138 161.9
[M+H-H2O]+ 253.020240 150.4
[M+HCOO]- 315.021181 171.5
[M+CH3COO]- 329.036831 195.1
[M+Na-2H]- 290.997646 159.3
[M]+ 270.02243142 163.9
[M]- 270.02352858 163.9
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