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]+ 277.064126 158.8
[M+Na]+ 299.046068 165.9
[M-H]- 275.049574 167.4
[M+NH4]+ 294.090673 174.7
[M+K]+ 315.020008 164.4
[M+H-H2O]+ 259.054110 152.6
[M+HCOO]- 321.055051 175.9
[M+CH3COO]- 335.070701 170.9
[M+Na-2H]- 297.031516 162.7
[M]+ 276.05630142 159.4
[M]- 276.05739858 159.4
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.