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

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 155.9
[M+Na]+ 293.01220 166.7
[M-H]- 269.01570 160.1
[M+NH4]+ 288.05680 175.5
[M+K]+ 308.98614 161.9
[M+H-H2O]+ 253.02024 150.4
[M+HCOO]- 315.02118 171.5
[M+CH3COO]- 329.03683 195.1
[M+Na-2H]- 290.99765 159.3
[M]+ 270.02243 163.9
[M]- 270.02353 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