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]+ 249.06923 149.8
[M+Na]+ 271.05117 161.2
[M-H]- 247.05467 157.5
[M+NH4]+ 266.09577 164.4
[M+K]+ 287.02511 156.3
[M+H-H2O]+ 231.05921 143.3
[M+HCOO]- 293.06015 170.1
[M+CH3COO]- 307.07580 162.9
[M+Na-2H]- 269.03662 153.7
[M]+ 248.06140 157.1
[M]- 248.06250 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.