CID 863482

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC3
InChI
InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKey
TYZQOTDNVBPGAW-UHFFFAOYSA-N
Compound name
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.06195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 149.8
[M+Na]+ 271.051168 161.2
[M-H]- 247.054674 157.5
[M+NH4]+ 266.095773 164.4
[M+K]+ 287.025108 156.3
[M+H-H2O]+ 231.059210 143.3
[M+HCOO]- 293.060151 170.1
[M+CH3COO]- 307.075801 162.9
[M+Na-2H]- 269.036616 153.7
[M]+ 248.06140142 157.1
[M]- 248.06249858 157.1
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

No patent data available for this compound.