CID 3011953

2-furancarboxamide, n-(7-methoxy-2-benzothiazolyl)-5-nitro-

Structural Information

Molecular Formula
C13H9N3O5S
SMILES
COC1=CC=CC2=C1SC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O5S/c1-20-8-4-2-3-7-11(8)22-13(14-7)15-12(17)9-5-6-10(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
InChIKey
MQCCWCJENZQTIO-UHFFFAOYSA-N
Compound name
N-(7-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0263 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03358 167.7
[M+Na]+ 342.01552 176.2
[M-H]- 318.01902 176.6
[M+NH4]+ 337.06012 183.3
[M+K]+ 357.98946 170.4
[M+H-H2O]+ 302.02356 165.7
[M+HCOO]- 364.02450 189.7
[M+CH3COO]- 378.04015 198.2
[M+Na-2H]- 340.00097 173.3
[M]+ 319.02575 173.0
[M]- 319.02685 173.0
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.