CID 12364581

2-chloro-n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
COC1=C2C(=CC=C1)SC(=N2)NC(=O)CCl
InChI
InChI=1S/C10H9ClN2O2S/c1-15-6-3-2-4-7-9(6)13-10(16-7)12-8(14)5-11/h2-4H,5H2,1H3,(H,12,13,14)
InChIKey
ASXAPLGADHCULA-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 151.3
[M+Na]+ 278.996538 162.6
[M-H]- 255.000044 155.8
[M+NH4]+ 274.041143 171.6
[M+K]+ 294.970478 158.0
[M+H-H2O]+ 239.004580 146.1
[M+HCOO]- 301.005521 167.3
[M+CH3COO]- 315.021171 192.1
[M+Na-2H]- 276.981986 155.2
[M]+ 256.00677142 159.0
[M]- 256.00786858 159.0
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.