CID 43548178

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=CS3)N
InChI
InChI=1S/C13H12N2O3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4,14H2,(H,15,16)
InChIKey
WHNUKWTXUIXWLG-UHFFFAOYSA-N
Compound name
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05685 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06413 159.3
[M+Na]+ 299.04607 169.9
[M+NH4]+ 294.09067 167.7
[M+K]+ 315.02001 164.8
[M-H]- 275.04957 166.4
[M+Na-2H]- 297.03152 164.1
[M]+ 276.05630 163.1
[M]- 276.05740 163.1
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.